Vitas-M small molecule compound
methyl 2-{[(2-chloro-5-nitrophenyl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL331879
SMILES COC(=O)c1c(NC(=O)c2cc(ccc2Cl)[N+](=O)[O-])sc2c1CCC(C2)C
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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 C18H17ClN2O5S MW 408.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClN2O5S/c1-9-3-5-11-14(7-9)27-17(15(11)18(23)26-2)20-16(22)12-8-10(21(24)25)4-6-13(12)19/h4,6,8-9H,3,5,7H2,1-2H3,(H,20,22)InChIKey
UGNRROYYFLMPMP-UHFFFAOYSA-NSynonyms
302577-34-0302577340
CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=C(C=CC(=C3)(N+)(=O)(O))Cl
COC(=O)c1c(NC(=O)c2cc(ccc2Cl)(N+)(=O)(O))sc2c1CCC(C2)C
InChI=1SC18H17ClN2O5Sc19351114(79)2717(15(11)18(23)262)2016(22)12810(21(24)25)4613(12)19h4689H357H212H3(H2022)
methyl2(((2chloro5nitrophenyl)carbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
methyl2((2chloro5nitrobenzoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
methyl2(2chloro5nitrobenzamido)6methyl4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD02331725
ZINC000000943842
ZINC000000943843
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