Vitas-M small molecule compound
methyl 2-{[(3,5-dinitrophenyl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STK421540
SMILES COC(=O)c1c(NC(=O)c2cc(cc(c2)[N+](=O)[O-])[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 C16H13N3O7S MW 391.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O7S/c1-26-16(21)13-11-3-2-4-12(11)27-15(13)17-14(20)8-5-9(18(22)23)7-10(6-8)19(24)25/h5-7H,2-4H2,1H3,(H,17,20)InChIKey
PFIVPVDPCMFHPH-UHFFFAOYSA-NSynonyms
354547-64-1354547641
COC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC(=CC(=C3)(N+)(=O)(O))(N+)(=O)(O)
COC(=O)c1c(NC(=O)c2cc(cc(c2)(N+)(=O)(O))(N+)(=O)(O))sc2c1CCC2
InChI=1SC16H13N3O7Sc12616(21)131132412(11)2715(13)1714(20)859(18(22)23)710(68)19(24)25h57H24H21H3(H1720)
methyl2(((35dinitrophenyl)carbonyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
METHYL2((35BISNITROBENZOYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
METHYL2((35DINITROBENZOYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
MFCD01336862
ZINC000001904939
ZINC01904939
ZINC1904939
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