Vitas-M small molecule compound
1-methyl-5-(3-methylphenoxy)-2-[5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3,4-thiadiazol-2-yl]-1H-indole
Catalog ID
STK185515
SMILES Cc1cccc(c1)Oc1ccc2c(c1)cc(n2C)c1nnc(s1)C12CC3CC(C2)CC(C1)C3
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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 C28H29N3OS MW 455.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3OS/c1-17-4-3-5-22(8-17)32-23-6-7-24-21(12-23)13-25(31(24)2)26-29-30-27(33-26)28-14-18-9-19(15-28)11-20(10-18)16-28/h3-8,12-13,18-20H,9-11,14-16H2,1-2H3InChIKey
PCMYKTLLTXZCQE-UHFFFAOYSA-NSynonyms
1methyl5(3methylphenoxy)2(5(tricyclo(3311~37~)dec1yl)134thiadiazol2yl)1Hindole
2(1adamantyl)5(1methyl5(3methylphenoxy)indol2yl)134thiadiazole
CC1=CC(=CC=C1)OC2=CC3=C(C=C2)N(C(=C3)C4=NN=C(S4)C56CC7CC(C5)CC(C7)C6)C
InChI=1SC28H29N3OSc11743522(817)3223672421(1223)1325(31(24)2)26293027(3326)281418919(1528)1120(1018)1628h3812131820H9111416H212H3
MFCD08678255
ZINC000009907311
ZINC09907311
ZINC9907311
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