Vitas-M small molecule compound
methyl 4-(4-methylphenyl)-2-{[(3-nitrophenyl)carbonyl]amino}thiophene-3-carboxylate
Catalog ID
STK433600
SMILES COC(=O)c1c(scc1c1ccc(cc1)C)NC(=O)c1cccc(c1)[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/c1-12-6-8-13(9-7-12)16-11-28-19(17(16)20(24)27-2)21-18(23)14-4-3-5-15(10-14)22(25)26/h3-11H,1-2H3,(H,21,23)InChIKey
BUAOVPSNCQYAQJ-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
COC(=O)c1c(scc1c1ccc(cc1)C)NC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC20H16N2O5Sc1126813(9712)16112819(17(16)20(24)272)2118(23)1443515(1014)22(25)26h311H12H3(H2123)
METHYL2((3NITROBENZOYL)AMINO)4(4METHYLPHENYL)3THIOPHENECARBOXYLATE
methyl4(4methylphenyl)2(((3nitrophenyl)carbonyl)amino)thiophene3carboxylate
METHYL4(4METHYLPHENYL)2((3NITROBENZOYL)AMINO)THIOPHENE3CARBOXYLATE
METHYL4(4METHYLPHENYL)2((3NITROPHENYL)CARBONYLAMINO)THIOPHENE3CARBOXYLATE
MFCD03389533
ZINC000002749171
ZINC02749171
ZINC2749171
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