Vitas-M small molecule compound
prop-2-en-1-yl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-({2-[(2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK887247
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1ccccc1[N+](=O)[O-]
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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 C25H21ClN4O5S MW 524.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN4O5S/c1-3-12-35-25(32)22-15(2)28-24(17(13-27)23(22)16-8-4-5-9-18(16)26)36-14-21(31)29-19-10-6-7-11-20(19)30(33)34/h3-11,23,28H,1,12,14H2,2H3,(H,29,31)InChIKey
CUMOHLRUMXLGRK-UHFFFAOYSA-NSynonyms
C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1ccccc1(N+)(=O)(O)
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC=C2(N+)(=O)(O))C#N)C3=CC=CC=C3Cl)C(=O)OCC=C
InChI=1SC25H21ClN4O5Sc13123525(32)2215(2)2824(17(1327)23(22)16845918(16)26)361421(31)291910671120(19)30(33)34h3112328H11214H22H3(H2931)
MFCD10088095
prop2en1yl4(2chlorophenyl)5cyano2methyl6((2((2nitrophenyl)amino)2oxoethyl)sulfanyl)14dihydropyridine3carboxylate
prop2enyl4(2chlorophenyl)5cyano2methyl6(2(2nitroanilino)2oxoethyl)sulfanyl14dihydropyridine3carboxylate
ZINC000101273350
ZINC000101273351
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