Vitas-M small molecule compound
3-(3-methylphenyl)-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Catalog ID
STL441035
SMILES Cc1cccc(c1)n1c(SCC(=O)c2cccs2)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 C29H26N2O2S2 MW 498.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O2S2/c1-19-8-6-10-21(16-19)31-27(33)25-26(30-28(31)35-18-23(32)24-12-7-15-34-24)22-11-3-2-9-20(22)17-29(25)13-4-5-14-29/h2-3,6-12,15-16H,4-5,13-14,17-18H2,1H3InChIKey
JYCZNXAYFGFNIX-UHFFFAOYSA-NSynonyms
3(3methylphenyl)2((2oxo2(thiophen2yl)ethyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
3(3METHYLPHENYL)2(2OXO2THIOPHEN2YLETHYL)SULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC(=O)C6=CC=CS6
InChI=1SC29H26N2O2S2c119861021(1619)3127(33)2526(3028(31)351823(32)24127153424)221132920(22)1729(25)13451429h236121516H4513141718H21H3
MFCD06239670
SPIRO(CYCLOPENTANE15(3(3METHYLPHENYL)2((2OXO2(2THIENYL)ETHYL)SULFANYL)56DIHYDROBENZO(H)QUINAZOLIN4(3H)ONE))
ZINC000008769583
ZINC08769583
ZINC8769583
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