Vitas-M small molecule compound
N-(4-chlorophenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide
Catalog ID
STL448157
SMILES COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(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 C31H28ClN3O3S MW 558.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClN3O3S/c1-38-24-14-12-23(13-15-24)35-29(37)27-28(25-7-3-2-6-20(25)18-31(27)16-4-5-17-31)34-30(35)39-19-26(36)33-22-10-8-21(32)9-11-22/h2-3,6-15H,4-5,16-19H2,1H3,(H,33,36)InChIKey
JFPPDOBQNIMXHJ-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC(=O)NC6=CC=C(C=C6)Cl
InChI=1SC31H28ClN3O3Sc13824141223(131524)3529(37)2728(25732620(25)1831(27)16451731)3430(35)391926(36)332210821(32)91122h23615H451619H21H3(H3336)
MFCD06243757
N(4chlorophenyl)2((3(4methoxyphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)sulfanyl)acetamide
N(4CHLOROPHENYL)2(3(4METHOXYPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)2YL)SULFANYLACETAMIDE
ZINC000003771693
ZINC3771693
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