Vitas-M small molecule compound
ethyl 5-cyano-6-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-2-phenyl-1,4-dihydro-4,4'-bipyridine-3-carboxylate
Catalog ID
STK886926
SMILES CCOC(=O)C1=C(NC(=C(C1c1ccncc1)C#N)SCC(=O)NCCC(C)C)c1ccccc1
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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 C27H30N4O3S MW 490.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O3S/c1-4-34-27(33)24-23(19-11-13-29-14-12-19)21(16-28)26(31-25(24)20-8-6-5-7-9-20)35-17-22(32)30-15-10-18(2)3/h5-9,11-14,18,23,31H,4,10,15,17H2,1-3H3,(H,30,32)InChIKey
SPKZPZSJKWUVLI-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=C(C1C2=CC=NC=C2)C#N)SCC(=O)NCCC(C)C)C3=CC=CC=C3
ethyl5cyano6((2((3methylbutyl)amino)2oxoethyl)sulfanyl)2phenyl14dihydro44bipyridine3carboxylate
ethyl5cyano6(2(3methylbutylamino)2oxoethyl)sulfanyl2phenyl4pyridin4yl14dihydropyridine3carboxylate
InChI=1SC27H30N4O3Sc143427(33)2423(19111329141219)21(1628)26(3125(24)208657920)351722(32)30151018(2)3h591114182331H4101517H213H3(H3032)
MFCD10087598
ZINC000020348270
ZINC000020348272
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