Vitas-M small molecule compound
5-cyano-4-(2-fluorophenyl)-2-methyl-6-({2-[(2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-N-phenyl-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK887290
SMILES N#CC1=C(SCC(=O)Nc2ccccc2[N+](=O)[O-])NC(=C(C1c1ccccc1F)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 C28H22FN5O4S MW 543.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22FN5O4S/c1-17-25(27(36)32-18-9-3-2-4-10-18)26(19-11-5-6-12-21(19)29)20(15-30)28(31-17)39-16-24(35)33-22-13-7-8-14-23(22)34(37)38/h2-14,26,31H,16H2,1H3,(H,32,36)(H,33,35)InChIKey
OLRFTTWOKZCLND-UHFFFAOYSA-NSynonyms
5cyano4(2fluorophenyl)2methyl6((2((2nitrophenyl)amino)2oxoethyl)sulfanyl)Nphenyl14dihydropyridine3carboxamide
5CYANO4(2FLUOROPHENYL)2METHYL6(2(2NITROANILINO)2OXOETHYL)SULFANYLNPHENYL14DIHYDROPYRIDINE3CARBOXAMIDE
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC=C2(N+)(=O)(O))C#N)C3=CC=CC=C3F)C(=O)NC4=CC=CC=C4
InChI=1SC28H22FN5O4Sc11725(27(36)321893241018)26(1911561221(19)29)20(1530)28(3117)391624(35)332213781423(22)34(37)38h2142631H16H21H3(H3236)(H3335)
MFCD03955841
N#CC1=C(SCC(=O)Nc2ccccc2(N+)(=O)(O))NC(=C(C1c1ccccc1F)C(=O)Nc1ccccc1)C
ZINC000102917415
ZINC000102917418
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