Vitas-M small molecule compound
methyl 2-{[(2-methyl-3-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK408253
SMILES COC(=O)c1c(NC(=O)c2cccc(c2C)[N+](=O)[O-])sc2c1CCCC2
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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 C18H18N2O5S MW 374.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O5S/c1-10-11(7-5-8-13(10)20(23)24)16(21)19-17-15(18(22)25-2)12-6-3-4-9-14(12)26-17/h5,7-8H,3-4,6,9H2,1-2H3,(H,19,21)InChIKey
UPHOXMJHZRRSPN-UHFFFAOYSA-NSynonyms
CC1=C(C=CC=C1(N+)(=O)(O))C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC
COC(=O)c1c(NC(=O)c2cccc(c2C)(N+)(=O)(O))sc2c1CCCC2
InChI=1SC18H18N2O5Sc11011(75813(10)20(23)24)16(21)191715(18(22)252)12634914(12)2617h578H3469H212H3(H1921)
methyl2(((2methyl3nitrophenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2methyl3nitrobenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD02928273
ZINC000001067924
ZINC01067924
ZINC1067924
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