Vitas-M small molecule compound
2-{[(8E)-8-(4-methoxybenzylidene)-4-(4-methoxyphenyl)-3,4,5,6,7,8-hexahydroquinazolin-2-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide
Catalog ID
STL115146
SMILES COc1ccc(cc1)C1NC(=NC2=C1CCC/C/2=C\c1ccc(cc1)OC)SCC(=O)N(c1ccccc1)C(C)C
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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 C34H37N3O3S MW 567.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H37N3O3S/c1-23(2)37(27-10-6-5-7-11-27)31(38)22-41-34-35-32(25-15-19-29(40-4)20-16-25)30-12-8-9-26(33(30)36-34)21-24-13-17-28(39-3)18-14-24/h5-7,10-11,13-21,23,32H,8-9,12,22H2,1-4H3,(H,35,36)/b26-21+InChIKey
JRWLMHFGXHHMFR-YYADALCUSA-NSynonyms
2(((8E)4(4methoxyphenyl)8((4methoxyphenyl)methylidene)4567tetrahydro1Hquinazolin2yl)sulfanyl)NphenylNpropan2ylacetamide
2(((8E)8(4methoxybenzylidene)4(4methoxyphenyl)345678hexahydroquinazolin2yl)sulfanyl)NphenylN(propan2yl)acetamide
CC(C)N(C1=CC=CC=C1)C(=O)CSC2=NC(C3=C(N2)C(=CC4=CC=C(C=C4)OC)CCC3)C5=CC=C(C=C5)OC
COc1ccc(cc1)C1NC(=NC2=C1CCCC2=Cc1ccc(cc1)OC)SCC(=O)N(c1ccccc1)C(C)C
InChI=1SC34H37N3O3Sc123(2)37(27106571127)31(38)2241343532(25151929(404)201625)30128926(33(30)3634)2124131728(393)181424h57101113212332H891222H214H3(H3536)b2621+
MFCD02709600
ZINC000006171137
ZINC000006171143
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