Vitas-M small molecule compound
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Catalog ID
STK552670
SMILES COc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)Br)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1
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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 C31H27BrN2O3S MW 587.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27BrN2O3S/c1-37-24-14-12-23(13-15-24)34-29(36)27-28(25-7-3-2-6-21(25)18-31(27)16-4-5-17-31)33-30(34)38-19-26(35)20-8-10-22(32)11-9-20/h2-3,6-15H,4-5,16-19H2,1H3InChIKey
YFRLFVZMIAIMAR-UHFFFAOYSA-NSynonyms
2((2(4bromophenyl)2oxoethyl)sulfanyl)3(4methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2((2(4bromophenyl)2oxoethyl)thio)3(4methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2(2(4BROMOPHENYL)2OXOETHYL)SULFANYL3(4METHOXYPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC(=O)C6=CC=C(C=C6)Br
InChI=1SC31H27BrN2O3Sc13724141223(131524)3429(36)2728(25732621(25)1831(27)16451731)3330(34)381926(35)2081022(32)11920h23615H451619H21H3
MFCD03693717
ZINC000001886938
ZINC01886938
ZINC1886938
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