Vitas-M small molecule compound
2-({5-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide
Catalog ID
STK468716
SMILES O=C(Nc1cccc(c1)[N+](=O)[O-])CSc1nnc(n1C)COc1ccc(c(c1)C)Cl
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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 C19H18ClN5O4S MW 447.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClN5O4S/c1-12-8-15(6-7-16(12)20)29-10-17-22-23-19(24(17)2)30-11-18(26)21-13-4-3-5-14(9-13)25(27)28/h3-9H,10-11H2,1-2H3,(H,21,26)InChIKey
RROZVQJUWFEFOP-UHFFFAOYSA-NSynonyms
2((5((4chloro3methylphenoxy)methyl)4methyl124triazol3yl)sulfanyl)N(3nitrophenyl)acetamide
2((5((4chloro3methylphenoxy)methyl)4methyl4H124triazol3yl)sulfanyl)N(3nitrophenyl)acetamide
2(5((4CHLORO3METHYLPHENOXY)METHYL)4METHYL(124TRIAZOL3YLTHIO))N(3NITROPHENYL)ACETAMIDE
CC1=C(C=CC(=C1)OCC2=NN=C(N2C)SCC(=O)NC3=CC(=CC=C3)(N+)(=O)(O))Cl
InChI=1SC19H18ClN5O4Sc112815(6716(12)20)291017222319(24(17)2)301118(26)211343514(913)25(27)28h39H1011H212H3(H2126)
MFCD07059296
O=C(Nc1cccc(c1)(N+)(=O)(O))CSc1nnc(n1C)COc1ccc(c(c1)C)Cl
ZINC000019646609
ZINC19646609
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