Vitas-M small molecule compound
prop-2-en-1-yl 6-[(2-amino-2-oxoethyl)sulfanyl]-4-[4-(benzyloxy)-3-methoxyphenyl]-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK546605
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)OCc1ccccc1)C#N)SCC(=O)N
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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 C27H27N3O5S MW 505.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O5S/c1-4-12-34-27(32)24-17(2)30-26(36-16-23(29)31)20(14-28)25(24)19-10-11-21(22(13-19)33-3)35-15-18-8-6-5-7-9-18/h4-11,13,25,30H,1,12,15-16H2,2-3H3,(H2,29,31)InChIKey
ALDQDMKXPVRVNQ-UHFFFAOYSA-NSynonyms
797798-95-9797798959
allyl6((2amino2oxoethyl)thio)4(4(benzyloxy)3methoxyphenyl)5cyano2methyl14dihydropyridine3carboxylate
CC1=C(C(C(=C(N1)SCC(=O)N)C#N)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)C(=O)OCC=C
InChI=1SC27H27N3O5Sc14123427(32)2417(2)3026(361623(29)31)20(1428)25(24)19101121(22(1319)333)3515188657918h411132530H1121516H223H3(H22931)
MFCD03668387
prop2en1yl6((2amino2oxoethyl)sulfanyl)4(4(benzyloxy)3methoxyphenyl)5cyano2methyl14dihydropyridine3carboxylate
PROP2ENYL6(2AMINO2OXOETHYL)SULFANYL5CYANO4(3METHOXY4PHENYLMETHOXYPHENYL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000020150196
ZINC000020150197
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