Vitas-M small molecule compound
propyl 2-{[(3-methyl-4-nitrophenyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK418025
SMILES CCCOC(=O)c1c(NC(=O)c2ccc(c(c2)C)[N+](=O)[O-])sc2c1CCCCC2
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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 C21H24N2O5S MW 416.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O5S/c1-3-11-28-21(25)18-15-7-5-4-6-8-17(15)29-20(18)22-19(24)14-9-10-16(23(26)27)13(2)12-14/h9-10,12H,3-8,11H2,1-2H3,(H,22,24)InChIKey
IJXPIDRLTKSCSO-UHFFFAOYSA-NSynonyms
438618-15-6438618156
CCCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC(=C(C=C3)(N+)(=O)(O))C
CCCOC(=O)c1c(NC(=O)c2ccc(c(c2)C)(N+)(=O)(O))sc2c1CCCCC2
InChI=1SC21H24N2O5Sc13112821(25)18157546817(15)2920(18)2219(24)1491016(23(26)27)13(2)1214h91012H3811H212H3(H2224)
MFCD01920156
propyl2(((3methyl4nitrophenyl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
propyl2((3methyl4nitrobenzoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ZINC000002744926
ZINC02744926
ZINC2744926
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