Vitas-M small molecule compound
methyl 2-{[(3-methyl-4-nitrophenyl)carbonyl]amino}-4-phenylthiophene-3-carboxylate
Catalog ID
STK437938
SMILES COC(=O)c1c(scc1c1ccccc1)NC(=O)c1ccc(c(c1)C)[N+](=O)[O-]
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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 C20H16N2O5S MW 396.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N2O5S/c1-12-10-14(8-9-16(12)22(25)26)18(23)21-19-17(20(24)27-2)15(11-28-19)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,21,23)InChIKey
FNZKNEXCDKVGGD-UHFFFAOYSA-NSynonyms
CC1=C(C=CC(=C1)C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC)(N+)(=O)(O)
COC(=O)c1c(scc1c1ccccc1)NC(=O)c1ccc(c(c1)C)(N+)(=O)(O)
InChI=1SC20H16N2O5Sc1121014(8916(12)22(25)26)18(23)211917(20(24)272)15(112819)136435713h311H12H3(H2123)
methyl2(((3methyl4nitrophenyl)carbonyl)amino)4phenylthiophene3carboxylate
METHYL2((3METHYL4NITROBENZOYL)AMINO)4PHENYLTHIOPHENE3CARBOXYLATE
METHYL2((3METHYL4NITROPHENYL)CARBONYLAMINO)4PHENYLTHIOPHENE3CARBOXYLATE
MFCD03393522
ZINC000001111861
ZINC01111861
ZINC1111861
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