Vitas-M small molecule compound
2-{[(8E)-8-(4-chlorobenzylidene)-4-(4-chlorophenyl)-3,4,5,6,7,8-hexahydroquinazolin-2-yl]sulfanyl}-N,N-diphenylacetamide
Catalog ID
STL115141
SMILES Clc1ccc(cc1)C1NC(=NC2=C1CCC/C/2=C\c1ccc(cc1)Cl)SCC(=O)N(c1ccccc1)c1ccccc1
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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 C35H29Cl2N3OS MW 610.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H29Cl2N3OS/c36-27-18-14-24(15-19-27)22-26-8-7-13-31-33(25-16-20-28(37)21-17-25)38-35(39-34(26)31)42-23-32(41)40(29-9-3-1-4-10-29)30-11-5-2-6-12-30/h1-6,9-12,14-22,33H,7-8,13,23H2,(H,38,39)/b26-22+InChIKey
WAIFNGKSWMBSPX-XTCLZLMSSA-NSynonyms
2(((8E)4(4chlorophenyl)8((4chlorophenyl)methylidene)4567tetrahydro1Hquinazolin2yl)sulfanyl)NNdiphenylacetamide
2(((8E)8(4chlorobenzylidene)4(4chlorophenyl)345678hexahydroquinazolin2yl)sulfanyl)NNdiphenylacetamide
C1CC(=CC2=CC=C(C=C2)Cl)C3=C(C1)C(N=C(N3)SCC(=O)N(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)Cl
Clc1ccc(cc1)C1NC(=NC2=C1CCCC2=Cc1ccc(cc1)Cl)SCC(=O)N(c1ccccc1)c1ccccc1
InChI=1SC35H29Cl2N3OSc3627181424(151927)222687133133(25162028(37)211725)3835(3934(26)31)422332(41)40(2993141029)30115261230h16912142233H781323H2(H3839)b2622+
MFCD03177098
ZINC000097970822
ZINC000097970823
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