Vitas-M small molecule compound
2-{[5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Catalog ID
STK400882
SMILES COc1cc(ccc1OC)c1nnc(n1CC)SCC(=O)Nc1cccc(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 C20H21N5O5S MW 443.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O5S/c1-4-24-19(13-8-9-16(29-2)17(10-13)30-3)22-23-20(24)31-12-18(26)21-14-6-5-7-15(11-14)25(27)28/h5-11H,4,12H2,1-3H3,(H,21,26)InChIKey
UUVQMJVICONZTR-UHFFFAOYSA-NSynonyms
2((5(34dimethoxyphenyl)4ethyl124triazol3yl)sulfanyl)N(3nitrophenyl)acetamide
2((5(34dimethoxyphenyl)4ethyl4H124triazol3yl)sulfanyl)N(3nitrophenyl)acetamide
2(5(34DIMETHOXYPHENYL)4ETHYL(124TRIAZOL3YLTHIO))N(3NITROPHENYL)ACETAMIDE
CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)(N+)(=O)(O))C3=CC(=C(C=C3)OC)OC
COc1cc(ccc1OC)c1nnc(n1CC)SCC(=O)Nc1cccc(c1)(N+)(=O)(O)
InChI=1SC20H21N5O5Sc142419(138916(292)17(1013)303)222320(24)311218(26)211465715(1114)25(27)28h511H412H213H3(H2126)
MFCD07035263
ZINC000019638004
ZINC19638004
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