Vitas-M small molecule compound
prop-2-en-1-yl 4-[4-(benzyloxy)-3-methoxyphenyl]-6-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK548894
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)OCc1ccccc1)C#N)SCC(=O)Nc1ccc(cc1)Br
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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 C33H30BrN3O5S MW 660.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30BrN3O5S/c1-4-16-41-33(39)30-21(2)36-32(43-20-29(38)37-25-13-11-24(34)12-14-25)26(18-35)31(30)23-10-15-27(28(17-23)40-3)42-19-22-8-6-5-7-9-22/h4-15,17,31,36H,1,16,19-20H2,2-3H3,(H,37,38)InChIKey
UQLPNXUSTVQXBT-UHFFFAOYSA-NSynonyms
allyl4(4(benzyloxy)3methoxyphenyl)6((2((4bromophenyl)amino)2oxoethyl)thio)5cyano2methyl14dihydropyridine3carboxylate
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)Br)C#N)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C(=O)OCC=C
InChI=1SC33H30BrN3O5Sc14164133(39)3021(2)3632(432029(38)3725131124(34)121425)26(1835)31(30)23101527(28(1723)403)4219228657922h415173136H1161920H223H3(H3738)
MFCD03665251
prop2en1yl4(4(benzyloxy)3methoxyphenyl)6((2((4bromophenyl)amino)2oxoethyl)sulfanyl)5cyano2methyl14dihydropyridine3carboxylate
PROP2ENYL6(2(4BROMOANILINO)2OXOETHYL)SULFANYL5CYANO4(3METHOXY4PHENYLMETHOXYPHENYL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000097999666
ZINC000097999667
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