Vitas-M small molecule compound
prop-2-en-1-yl 5-cyano-6-({2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK839562
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1cccs1)C#N)SCC(=O)Nc1ccc(c(c1)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 C25H25N3O3S2 MW 479.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O3S2/c1-5-10-31-25(30)22-17(4)27-24(19(13-26)23(22)20-7-6-11-32-20)33-14-21(29)28-18-9-8-15(2)16(3)12-18/h5-9,11-12,23,27H,1,10,14H2,2-4H3,(H,28,29)InChIKey
AVZUHQSKNISAPS-UHFFFAOYSA-NSynonyms
370845-12-8370845128
allyl5cyano6((2((34dimethylphenyl)amino)2oxoethyl)thio)2methyl4(thiophen2yl)14dihydropyridine3carboxylate
CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC=C)C3=CC=CS3)C#N)C
InChI=1SC25H25N3O3S2c15103125(30)2217(4)2724(19(1326)23(22)2076113220)331421(29)28189815(2)16(3)1218h5911122327H11014H224H3(H2829)
MFCD02999198
prop2en1yl5cyano6((2((34dimethylphenyl)amino)2oxoethyl)sulfanyl)2methyl4(thiophen2yl)14dihydropyridine3carboxylate
PROP2ENYL5CYANO6(2(34DIMETHYLANILINO)2OXOETHYL)SULFANYL2METHYL4THIOPHEN2YL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000020025929
ZINC000020025931
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