Vitas-M small molecule compound
tert-butyl 4-(4-chlorophenyl)-5-cyano-6-({2-[(2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK887419
SMILES N#CC1=C(SCC(=O)Nc2ccccc2OC)NC(=C(C1c1ccc(cc1)Cl)C(=O)OC(C)(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 C27H28ClN3O4S MW 526.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClN3O4S/c1-16-23(26(33)35-27(2,3)4)24(17-10-12-18(28)13-11-17)19(14-29)25(30-16)36-15-22(32)31-20-8-6-7-9-21(20)34-5/h6-13,24,30H,15H2,1-5H3,(H,31,32)InChIKey
YFYAQBIFYJUFGE-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC=C2OC)C#N)C3=CC=C(C=C3)Cl)C(=O)OC(C)(C)C
InChI=1SC27H28ClN3O4Sc11623(26(33)3527(23)4)24(17101218(28)131117)19(1429)25(3016)361522(32)3120867921(20)345h6132430H15H215H3(H3132)
MFCD18172051
tertbutyl4(4chlorophenyl)5cyano6((2((2methoxyphenyl)amino)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
tertbutyl4(4chlorophenyl)5cyano6(2(2methoxyanilino)2oxoethyl)sulfanyl2methyl14dihydropyridine3carboxylate
ZINC000040486412
ZINC000040486414
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