Vitas-M small molecule compound
methyl 2-{[(3-methyl-4-nitrophenyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK437923
SMILES COC(=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 C19H20N2O5S MW 388.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N2O5S/c1-11-10-12(8-9-14(11)21(24)25)17(22)20-18-16(19(23)26-2)13-6-4-3-5-7-15(13)27-18/h8-10H,3-7H2,1-2H3,(H,20,22)InChIKey
IIIGQDCNTJSOQW-UHFFFAOYSA-NSynonyms
CC1=C(C=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OC)(N+)(=O)(O)
COC(=O)c1c(NC(=O)c2ccc(c(c2)C)(N+)(=O)(O))sc2c1CCCCC2
InChI=1SC19H20N2O5Sc1111012(8914(11)21(24)25)17(22)201816(19(23)262)136435715(13)2718h810H37H212H3(H2022)
methyl2(((3methyl4nitrophenyl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((3methyl4nitrobenzoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD03382310
ZINC000000651616
ZINC00651616
ZINC651616
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