Vitas-M small molecule compound
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-nitro-4-(pyrrolidin-1-yl)benzamide
Catalog ID
STK389891
SMILES N#Cc1c(NC(=O)c2ccc(c(c2)[N+](=O)[O-])N2CCCC2)sc2c1CCCC2
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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 C20H20N4O3S MW 396.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3S/c21-12-15-14-5-1-2-6-18(14)28-20(15)22-19(25)13-7-8-16(17(11-13)24(26)27)23-9-3-4-10-23/h7-8,11H,1-6,9-10H2,(H,22,25)InChIKey
WOVYQCFTUXUPHQ-UHFFFAOYSA-NSynonyms
C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)(N+)(=O)(O))C#N
InChI=1SC20H20N4O3Sc21121514512618(14)2820(15)2219(25)137816(17(1113)24(26)27)239341023h7811H16910H2(H2225)
MFCD04966600
N#Cc1c(NC(=O)c2ccc(c(c2)(N+)(=O)(O))N2CCCC2)sc2c1CCCC2
N(3cyano4567tetrahydro1benzothiophen2yl)3nitro4(pyrrolidin1yl)benzamide
N(3cyano4567tetrahydro1benzothiophen2yl)3nitro4pyrrolidin1ylbenzamide
ZINC000004122625
ZINC04122625
ZINC4122625
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