Vitas-M small molecule compound

2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one

Catalog ID
STK526814
SMILES COc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)Cl)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 C31H27ClN2O3S MW 543.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27ClN2O3S/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,4-5,16-19H2,1H3
InChIKey
JYLPZVQDZFWXBX-UHFFFAOYSA-N
Synonyms
312585-37-8
2((2(4chlorophenyl)2oxoethyl)sulfanyl)3(4methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2((2(4CHLOROPHENYL)2OXOETHYL)SULFANYL)3(4METHOXYPHENYL)56DIHYDROSPIRO(BENZO(H)QUINAZOLINE51CYCLOPENTANE)4(3H)ONE
2((2(4chlorophenyl)2oxoethyl)thio)3(4methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2(2(4CHLOROPHENYL)2OXOETHYL)SULFANYL3(4METHOXYPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
312585378
COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC(=O)C6=CC=C(C=C6)Cl
InChI=1SC31H27ClN2O3Sc13724141223(131524)3429(36)2728(25732621(25)1831(27)16451731)3330(34)381926(35)2081022(32)11920h23615H451619H21H3
MFCD01174987
ZINC000002117655
ZINC2117655

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Available files

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