Vitas-M small molecule compound
methyl 4-ethyl-5-methyl-2-{[(3-nitrophenyl)carbonyl]amino}thiophene-3-carboxylate
Catalog ID
STK427641
SMILES COC(=O)c1c(NC(=O)c2cccc(c2)[N+](=O)[O-])sc(c1CC)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 C16H16N2O5S MW 348.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O5S/c1-4-12-9(2)24-15(13(12)16(20)23-3)17-14(19)10-6-5-7-11(8-10)18(21)22/h5-8H,4H2,1-3H3,(H,17,19)InChIKey
QICGANFGZAQGFR-UHFFFAOYSA-NSynonyms
CCC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=CC=C2)(N+)(=O)(O))C
COC(=O)c1c(NC(=O)c2cccc(c2)(N+)(=O)(O))sc(c1CC)C
InChI=1SC16H16N2O5Sc14129(2)2415(13(12)16(20)233)1714(19)1065711(810)18(21)22h58H4H213H3(H1719)
methyl4ethyl5methyl2(((3nitrophenyl)carbonyl)amino)thiophene3carboxylate
METHYL4ETHYL5METHYL2((3NITROBENZOYL)AMINO)THIOPHENE3CARBOXYLATE
METHYL4ETHYL5METHYL2((3NITROPHENYL)CARBONYLAMINO)THIOPHENE3CARBOXYLATE
MFCD01340077
ZINC000000433829
ZINC00433829
ZINC433829
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