Vitas-M small molecule compound
methyl 5-benzyl-4-methyl-2-{[(2-nitrophenyl)carbonyl]amino}thiophene-3-carboxylate
Catalog ID
STK058395
SMILES COC(=O)c1c(sc(c1C)Cc1ccccc1)NC(=O)c1ccccc1[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 C21H18N2O5S MW 410.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O5S/c1-13-17(12-14-8-4-3-5-9-14)29-20(18(13)21(25)28-2)22-19(24)15-10-6-7-11-16(15)23(26)27/h3-11H,12H2,1-2H3,(H,22,24)InChIKey
RUAOGQNGVVRWNT-UHFFFAOYSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=CC=C2(N+)(=O)(O))CC3=CC=CC=C3
COC(=O)c1c(sc(c1C)Cc1ccccc1)NC(=O)c1ccccc1(N+)(=O)(O)
InChI=1SC21H18N2O5Sc11317(12148435914)2920(18(13)21(25)282)2219(24)1510671116(15)23(26)27h311H12H212H3(H2224)
METHYL4METHYL2((2NITROPHENYL)CARBONYLAMINO)5BENZYLTHIOPHENE3CARBOXYLATE
METHYL5BENZYL4METHYL2(((2NITROPHENYL)CARBONYL)AMINO)THIOPHENE3CARBOXYLATE
METHYL5BENZYL4METHYL2((2NITROBENZOYL)AMINO)THIOPHENE3CARBOXYLATE
MFCD01163450
STK058395
ZINC000000834002
ZINC00834002
ZINC834002
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