Vitas-M small molecule compound
2-{[(8E)-8-(4-ethoxybenzylidene)-4-(4-ethoxyphenyl)-3,4,5,6,7,8-hexahydroquinazolin-2-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide
Catalog ID
STL115147
SMILES CCOc1ccc(cc1)C1NC(=NC2=C1CCC/C/2=C\c1ccc(cc1)OCC)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 C36H41N3O3S MW 595.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H41N3O3S/c1-5-41-30-19-15-26(16-20-30)23-28-11-10-14-32-34(27-17-21-31(22-18-27)42-6-2)37-36(38-35(28)32)43-24-33(40)39(25(3)4)29-12-8-7-9-13-29/h7-9,12-13,15-23,25,34H,5-6,10-11,14,24H2,1-4H3,(H,37,38)/b28-23+InChIKey
KATSDLLTTWXFEM-WEMUOSSPSA-NSynonyms
2(((8E)4(4ethoxyphenyl)8((4ethoxyphenyl)methylidene)4567tetrahydro1Hquinazolin2yl)sulfanyl)NphenylNpropan2ylacetamide
2(((8E)8(4ethoxybenzylidene)4(4ethoxyphenyl)345678hexahydroquinazolin2yl)sulfanyl)NphenylN(propan2yl)acetamide
CCOC1=CC=C(C=C1)C=C2CCCC3=C2NC(=NC3C4=CC=C(C=C4)OCC)SCC(=O)N(C5=CC=CC=C5)C(C)C
CCOc1ccc(cc1)C1NC(=NC2=C1CCCC2=Cc1ccc(cc1)OCC)SCC(=O)N(c1ccccc1)C(C)C
InChI=1SC36H41N3O3Sc154130191526(162030)23281110143234(27172131(221827)4262)3736(3835(28)32)432433(40)39(25(3)4)29128791329h79121315232534H5610111424H214H3(H3738)b2823+
MFCD03177102
ZINC000102901913
ZINC000102901915
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