Vitas-M small molecule compound

2-{[(3-methyl-4-nitrophenyl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

Catalog ID
STK412855
SMILES O=C(c1ccc(c(c1)C)[N+](=O)[O-])Nc1sc2c(c1C(=O)N)CCC2

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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 C16H15N3O4S MW 345.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N3O4S/c1-8-7-9(5-6-11(8)19(22)23)15(21)18-16-13(14(17)20)10-3-2-4-12(10)24-16/h5-7H,2-4H2,1H3,(H2,17,20)(H,18,21)
InChIKey
CMLDUZNXLVEQNY-UHFFFAOYSA-N
Synonyms

2(((3methyl4nitrophenyl)carbonyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxamide
2((3METHYL4NITROBENZOYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXAMIDE
2((3METHYL4NITROPHENYL)CARBONYLAMINO)456TRIHYDROCYCLOPENTA(12B)THIOPHENE3CARBOXAMIDE
2((4NITRO3METHYLBENZOYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXAMIDE
CC1=C(C=CC(=C1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)N)(N+)(=O)(O)
InChI=1SC16H15N3O4Sc1879(5611(8)19(22)23)15(21)181613(14(17)20)1032412(10)2416h57H24H21H3(H21720)(H1821)
MFCD02607883
O=C(c1ccc(c(c1)C)(N+)(=O)(O))Nc1sc2c(c1C(=O)N)CCC2
ZINC000000371664
ZINC00371664
ZINC371664

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.