Vitas-M small molecule compound
2-{[4-ethyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxy-2-nitrophenyl)acetamide
Catalog ID
STK114893
SMILES COc1ccc(c(c1)[N+](=O)[O-])NC(=O)CSc1nnc(n1CC)c1ccccc1C
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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 C20H21N5O4S MW 427.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O4S/c1-4-24-19(15-8-6-5-7-13(15)2)22-23-20(24)30-12-18(26)21-16-10-9-14(29-3)11-17(16)25(27)28/h5-11H,4,12H2,1-3H3,(H,21,26)InChIKey
ZIYDYPCLXPNWTI-UHFFFAOYSA-NSynonyms
2((4ETHYL5(2METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N(4METHOXY2NITROPHENYL)ACETAMIDE
2((4ETHYL5(2METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N(4METHOXY2NITROPHENYL)ACETAMIDE
CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)OC)(N+)(=O)(O))C3=CC=CC=C3C
COc1ccc(c(c1)(N+)(=O)(O))NC(=O)CSc1nnc(n1CC)c1ccccc1C
InChI=1SC20H21N5O4Sc142419(15865713(15)2)222320(24)301218(26)211610914(293)1117(16)25(27)28h511H412H213H3(H2126)
MFCD03997977
ZINC000009305010
ZINC09305010
ZINC9305010
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