Vitas-M small molecule compound
ethyl 4-[({[4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK154172
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C)c1ccc(cc1)[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 C20H19N5O5S MW 441.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O5S/c1-3-30-19(27)14-4-8-15(9-5-14)21-17(26)12-31-20-23-22-18(24(20)2)13-6-10-16(11-7-13)25(28)29/h4-11H,3,12H2,1-2H3,(H,21,26)InChIKey
AVZQUBBEPAIPDQ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)(N+)(=O)(O)
CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C)c1ccc(cc1)(N+)(=O)(O)
ETHYL4((((4METHYL5(4NITROPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ETHYL4((2((4METHYL5(4NITROPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
InChI=1SC20H19N5O5Sc133019(27)144815(9514)2117(26)123120232218(24(20)2)1361016(11713)25(28)29h411H312H212H3(H2126)
MFCD02589448
ZINC000002842338
ZINC02842338
ZINC2842338
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