Vitas-M small molecule compound
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(3-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Catalog ID
STK550796
SMILES COc1cccc(c1)n1c(SCC(=O)c2ccc(cc2)Br)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1
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 C31H27BrN2O3S MW 587.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27BrN2O3S/c1-37-24-9-6-8-23(17-24)34-29(36)27-28(25-10-3-2-7-21(25)18-31(27)15-4-5-16-31)33-30(34)38-19-26(35)20-11-13-22(32)14-12-20/h2-3,6-14,17H,4-5,15-16,18-19H2,1H3InChIKey
CWKDJLZMJVWOHG-UHFFFAOYSA-NSynonyms
2((2(4bromophenyl)2oxoethyl)sulfanyl)3(3methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2((2(4bromophenyl)2oxoethyl)thio)3(3methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2(2(4BROMOPHENYL)2OXOETHYL)SULFANYL3(3METHOXYPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC(=O)C6=CC=C(C=C6)Br
InChI=1SC31H27BrN2O3Sc1372496823(1724)3429(36)2728(251032721(25)1831(27)15451631)3330(34)381926(35)20111322(32)141220h2361417H4515161819H21H3
MFCD03689075
ZINC000001898615
ZINC01898615
ZINC1898615
Check stock
See real-time availability and sample size for STK550796 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.