VITAS-M Laboratory logo VITAS‑M Laboratory COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION
Vitas-M small molecule compound

3-({[3-(2-bromophenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetyl)-3,8,8-trimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione

Catalog ID
STK847385
SMILES O=C(C1(C)OC(=O)C2(C1)CC(OC2=O)(C)C)CSc1[nH]nc(n1)c1ccccc1Br

Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.

We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C20H20BrN3O5S MW 494.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrN3O5S/c1-18(2)9-20(15(26)28-18)10-19(3,29-16(20)27)13(25)8-30-17-22-14(23-24-17)11-6-4-5-7-12(11)21/h4-7H,8-10H2,1-3H3,(H,22,23,24)
InChIKey
AOQKIFVOORSMQH-UHFFFAOYSA-N
Synonyms
701238-34-8
(3R5S)3(((5(2BROMOPHENYL)1H124TRIAZOL3YL)SULFANYL)ACETYL)388TRIMETHYL27DIOXASPIRO(44)NONANE16DIONE
3(((3(2bromophenyl)1H124triazol5yl)sulfanyl)acetyl)388trimethyl27dioxaspiro(44)nonane16dione
3(2((5(2bromophenyl)1H124triazol3yl)sulfanyl)acetyl)388trimethyl27dioxaspiro(44)nonane16dione
3(2((5(2bromophenyl)4H124triazol3yl)thio)acetyl)388trimethyl27dioxaspiro(44)nonane16dione
7(2((5(2BROMOPHENYL)1H124TRIAZOL3YL)SULFANYL)ACETYL)227TRIMETHYL38DIOXASPIRO(44)NONANE49DIONE
701238348
CC1(CC2(CC(OC2=O)(C)C(=O)CSC3=NNC(=N3)C4=CC=CC=C4Br)C(=O)O1)C
InChI=1SC20H20BrN3O5Sc118(2)920(15(26)2818)1019(32916(20)27)13(25)830172214(232417)11645712(11)21h47H810H213H3(H222324)
MFCD05725767
O=C(C1(C)OC(=O)C2(C1)CC(OC2=O)(C)C)CSc1(nH)nc(n1)c1ccccc1Br
O=C(C1(C)OC(=O)C2(C1)CC(OC2=O)(C)C)CSc1nnc((nH)1)c1ccccc1Br
ZINC000002425747
ZINC000002425750

Check stock

See real-time availability and sample size for STK847385 on the Vitas-M platform.

Check stock on Vitas-M

Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

Download SDF Download MOL 3D structure Download SDS