Vitas-M small molecule compound
ethyl 4-[({[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK113746
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1CC=C)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 C22H21N5O5S MW 467.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O5S/c1-3-13-26-20(15-7-11-18(12-8-15)27(30)31)24-25-22(26)33-14-19(28)23-17-9-5-16(6-10-17)21(29)32-4-2/h3,5-12H,1,4,13-14H2,2H3,(H,23,28)InChIKey
CXNNQAYHCAGRAO-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)(N+)(=O)(O)
CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1CC=C)c1ccc(cc1)(N+)(=O)(O)
ETHYL4((((5(4NITROPHENYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ETHYL4((2((5(4NITROPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
InChI=1SC22H21N5O5Sc13132620(1571118(12815)27(30)31)242522(26)331419(28)23179516(61017)21(29)3242h3512H141314H22H3(H2328)
MFCD03870434
ZINC000012628236
ZINC12628236
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