Vitas-M small molecule compound
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
Catalog ID
STK519916
SMILES N#Cc1c(NC(=O)c2ccc(c(c2)[N+](=O)[O-])N2CCC(CC2)C)sc(c1C)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 C20H22N4O3S MW 398.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O3S/c1-12-6-8-23(9-7-12)17-5-4-15(10-18(17)24(26)27)19(25)22-20-16(11-21)13(2)14(3)28-20/h4-5,10,12H,6-9H2,1-3H3,(H,22,25)InChIKey
KRGKXQDQRQDACM-UHFFFAOYSA-NSynonyms
CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C(=C(S3)C)C)C#N)(N+)(=O)(O)
InChI=1SC20H22N4O3Sc1126823(9712)175415(1018(17)24(26)27)19(25)222016(1121)13(2)14(3)2820h451012H69H213H3(H2225)
MFCD07086644
N#Cc1c(NC(=O)c2ccc(c(c2)(N+)(=O)(O))N2CCC(CC2)C)sc(c1C)C
N(3cyano45dimethylthiophen2yl)4(4methylpiperidin1yl)3nitrobenzamide
ZINC000014596017
ZINC14596017
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