Vitas-M small molecule compound
ethyl 4-cyano-3-methyl-5-({[3-nitro-4-(pyrrolidin-1-yl)phenyl]carbonyl}amino)thiophene-2-carboxylate
Catalog ID
STK355448
SMILES CCOC(=O)c1sc(c(c1C)C#N)NC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCCC1
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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 C20H20N4O5S MW 428.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O5S/c1-3-29-20(26)17-12(2)14(11-21)19(30-17)22-18(25)13-6-7-15(16(10-13)24(27)28)23-8-4-5-9-23/h6-7,10H,3-5,8-9H2,1-2H3,(H,22,25)InChIKey
KCKCEEAFOLCKMP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)(N+)(=O)(O))C#N)C
CCOC(=O)c1sc(c(c1C)C#N)NC(=O)c1ccc(c(c1)(N+)(=O)(O))N1CCCC1
ethyl4cyano3methyl5(((3nitro4(pyrrolidin1yl)phenyl)carbonyl)amino)thiophene2carboxylate
ETHYL4CYANO3METHYL5((3NITRO4PYRROLIDIN1YLBENZOYL)AMINO)THIOPHENE2CARBOXYLATE
InChI=1SC20H20N4O5Sc132920(26)1712(2)14(1121)19(3017)2218(25)136715(16(1013)24(27)28)23845923h6710H3589H212H3(H2225)
MFCD05852211
ZINC000016448788
ZINC16448788
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