Vitas-M small molecule compound
2-{[(8E)-8-(3,4-dimethoxybenzylidene)-4-(3,4-dimethoxyphenyl)-3,4,5,6,7,8-hexahydroquinazolin-2-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide
Catalog ID
STL115149
SMILES COc1ccc(cc1OC)C1NC(=NC2=C1CCC/C/2=C\c1ccc(c(c1)OC)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 C36H41N3O5S MW 627.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H41N3O5S/c1-23(2)39(27-12-8-7-9-13-27)33(40)22-45-36-37-34-25(19-24-15-17-29(41-3)31(20-24)43-5)11-10-14-28(34)35(38-36)26-16-18-30(42-4)32(21-26)44-6/h7-9,12-13,15-21,23,35H,10-11,14,22H2,1-6H3,(H,37,38)/b25-19+InChIKey
NCWQXCDIHVHNDX-NCELDCMTSA-NSynonyms
2(((8E)4(34dimethoxyphenyl)8((34dimethoxyphenyl)methylidene)4567tetrahydro1Hquinazolin2yl)sulfanyl)NphenylNpropan2ylacetamide
2(((8E)8(34dimethoxybenzylidene)4(34dimethoxyphenyl)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)OC)CCC3)C5=CC(=C(C=C5)OC)OC
COc1ccc(cc1OC)C1NC(=NC2=C1CCCC2=Cc1ccc(c(c1)OC)OC)SCC(=O)N(c1ccccc1)C(C)C
InChI=1SC36H41N3O5Sc123(2)39(27128791327)33(40)224536373425(1924151729(413)31(2024)435)11101428(34)35(3836)26161830(424)32(2126)446h79121315212335H10111422H216H3(H3738)b2519+
MFCD03177105
ZINC000101873873
ZINC000101873877
Check stock
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Check stock on Vitas-MAvailable files
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