Vitas-M small molecule compound
ethyl 5-(cyclohexylcarbamoyl)-2-{[(3,5-dinitrophenyl)carbonyl]amino}-4-methylthiophene-3-carboxylate
Catalog ID
STK403226
SMILES CCOC(=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 C22H24N4O8S MW 504.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O8S/c1-3-34-22(29)17-12(2)18(20(28)23-14-7-5-4-6-8-14)35-21(17)24-19(27)13-9-15(25(30)31)11-16(10-13)26(32)33/h9-11,14H,3-8H2,1-2H3,(H,23,28)(H,24,27)InChIKey
CVMYVATYIRSOKR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)NC2CCCCC2)NC(=O)C3=CC(=CC(=C3)(N+)(=O)(O))(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)c2cc(cc(c2)(N+)(=O)(O))(N+)(=O)(O))sc(c1C)C(=O)NC1CCCCC1
ethyl5(cyclohexylcarbamoyl)2(((35dinitrophenyl)carbonyl)amino)4methylthiophene3carboxylate
ETHYL5(CYCLOHEXYLCARBAMOYL)2((35DINITROBENZOYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC22H24N4O8Sc133422(29)1712(2)18(20(28)23147546814)3521(17)2419(27)13915(25(30)31)1116(1013)26(32)33h91114H38H212H3(H2328)(H2427)
MFCD03312454
ZINC000015277502
ZINC15277502
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