Vitas-M small molecule compound
5-cyano-6-({2-[(2-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK885932
SMILES N#CC1=C(SCC(=O)Nc2ccccc2CC)NC(=C(C1c1ccc(c(c1)OC)O)C(=O)Nc1ccccc1)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 C31H30N4O4S MW 554.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4O4S/c1-4-20-10-8-9-13-24(20)35-27(37)18-40-31-23(17-32)29(21-14-15-25(36)26(16-21)39-3)28(19(2)33-31)30(38)34-22-11-6-5-7-12-22/h5-16,29,33,36H,4,18H2,1-3H3,(H,34,38)(H,35,37)InChIKey
LTQXMNFCWYSKOW-UHFFFAOYSA-NSynonyms
5cyano6((2((2ethylphenyl)amino)2oxoethyl)sulfanyl)4(4hydroxy3methoxyphenyl)2methylNphenyl14dihydropyridine3carboxamide
5cyano6(2(2ethylanilino)2oxoethyl)sulfanyl4(4hydroxy3methoxyphenyl)2methylNphenyl14dihydropyridine3carboxamide
CCC1=CC=CC=C1NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=CC=C3)C4=CC(=C(C=C4)O)OC)C#N
InChI=1SC31H30N4O4Sc142010891324(20)3527(37)18403123(1732)29(21141525(36)26(1621)393)28(19(2)3331)30(38)3422116571222h516293336H418H213H3(H3438)(H3537)
MFCD10086484
ZINC000098048755
ZINC000098048756
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