Vitas-M small molecule compound
methyl 2-{[(3,5-dinitrophenyl)carbonyl]amino}-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
Catalog ID
STK960154
SMILES COC(=O)c1c(NC(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])sc(c1C)C(=O)Nc1ccccc1
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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 C21H16N4O8S MW 484.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O8S/c1-11-16(21(28)33-2)20(34-17(11)19(27)22-13-6-4-3-5-7-13)23-18(26)12-8-14(24(29)30)10-15(9-12)25(31)32/h3-10H,1-2H3,(H,22,27)(H,23,26)InChIKey
TYMAPHPHNWRMQK-UHFFFAOYSA-NSynonyms
445006-44-0445006440
CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))(N+)(=O)(O))C(=O)NC3=CC=CC=C3
COC(=O)c1c(NC(=O)c2cc(cc(c2)(N+)(=O)(O))(N+)(=O)(O))sc(c1C)C(=O)Nc1ccccc1
InChI=1SC21H16N4O8Sc11116(21(28)332)20(3417(11)19(27)22136435713)2318(26)12814(24(29)30)1015(912)25(31)32h310H12H3(H2227)(H2326)
methyl2(((35dinitrophenyl)carbonyl)amino)4methyl5(phenylcarbamoyl)thiophene3carboxylate
METHYL2((35DINITROBENZOYL)AMINO)4METHYL5(PHENYLCARBAMOYL)THIOPHENE3CARBOXYLATE
METHYL5(ANILINOCARBONYL)2((35BISNITROBENZOYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
MFCD02607119
ZINC000002102339
ZINC02102339
ZINC2102339
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