Vitas-M small molecule compound
2-{[5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}-N-(4-methoxy-2-nitrophenyl)acetamide
Catalog ID
STK826505
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2[N+](=O)[O-])OC)NC(=C(C1c1ccc(cc1)Cl)C(=O)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 C24H21ClN4O5S MW 512.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21ClN4O5S/c1-13-22(14(2)30)23(15-4-6-16(25)7-5-15)18(11-26)24(27-13)35-12-21(31)28-19-9-8-17(34-3)10-20(19)29(32)33/h4-10,23,27H,12H2,1-3H3,(H,28,31)InChIKey
BWDQNPHMTXOOJE-UHFFFAOYSA-NSynonyms
2((5acetyl4(4chlorophenyl)3cyano6methyl14dihydropyridin2yl)sulfanyl)N(4methoxy2nitrophenyl)acetamide
CC1=C(C(C(=C(N1)SCC(=O)NC2=C(C=C(C=C2)OC)(N+)(=O)(O))C#N)C3=CC=C(C=C3)Cl)C(=O)C
InChI=1SC24H21ClN4O5Sc11322(14(2)30)23(154616(25)7515)18(1126)24(2713)351221(31)28199817(343)1020(19)29(32)33h4102327H12H213H3(H2831)
MFCD04218771
N#CC1=C(SCC(=O)Nc2ccc(cc2(N+)(=O)(O))OC)NC(=C(C1c1ccc(cc1)Cl)C(=O)C)C
ZINC000012250256
ZINC000012250257
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