Vitas-M small molecule compound
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methyl-4-nitrobenzamide
Catalog ID
STK731354
SMILES N#Cc1c(NC(=O)c2ccc(c(c2)C)[N+](=O)[O-])sc2c1CCC2
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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 C16H13N3O3S MW 327.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O3S/c1-9-7-10(5-6-13(9)19(21)22)15(20)18-16-12(8-17)11-3-2-4-14(11)23-16/h5-7H,2-4H2,1H3,(H,18,20)InChIKey
DIDRFXKEOXDRQD-UHFFFAOYSA-NSynonyms
312500-09-7312500097
CC1=C(C=CC(=C1)C(=O)NC2=C(C3=C(S2)CCC3)C#N)(N+)(=O)(O)
InChI=1SC16H13N3O3Sc19710(5613(9)19(21)22)15(20)181612(817)1132414(11)2316h57H24H21H3(H1820)
MFCD01004929
N#Cc1c(NC(=O)c2ccc(c(c2)C)(N+)(=O)(O))sc2c1CCC2
N(3CYANO(456TRIHYDROCYCLOPENTA(12D)THIOPHEN2YL))(3METHYL4NITROPHENYL)CARBOXAMIDE
N(3cyano56dihydro4Hcyclopenta(b)thiophen2yl)3methyl4nitrobenzamide
ZINC000000138123
ZINC00138123
ZINC138123
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