Vitas-M small molecule compound
4-methoxy-N-[(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide
Catalog ID
STK186971
SMILES COc1ccc(cc1)C(=O)NCc1nnc(n1C)SCC(=O)c1cccc(c1)[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/c1-24-18(11-21-19(27)13-6-8-16(30-2)9-7-13)22-23-20(24)31-12-17(26)14-4-3-5-15(10-14)25(28)29/h3-10H,11-12H2,1-2H3,(H,21,27)InChIKey
RKHRSBGILSDKNX-UHFFFAOYSA-NSynonyms
4METHOXYN((4METHYL5((2(3NITROPHENYL)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
4METHOXYN((4METHYL5(2(3NITROPHENYL)2OXOETHYL)SULFANYL124TRIAZOL3YL)METHYL)BENZAMIDE
CN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))CNC(=O)C3=CC=C(C=C3)OC
COc1ccc(cc1)C(=O)NCc1nnc(n1C)SCC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC20H19N5O5Sc12418(112119(27)136816(302)9713)222320(24)311217(26)1443515(1014)25(28)29h310H1112H212H3(H2127)
MFCD06006675
ZINC000002877991
ZINC02877991
ZINC2877991
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