Vitas-M small molecule compound
2-{[4-(3-chloro-4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethanone
Catalog ID
STK233131
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])CSc1nnc(n1c1ccc(c(c1)Cl)C)c1ccncc1
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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 C22H16ClN5O3S MW 465.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClN5O3S/c1-14-2-5-18(12-19(14)23)27-21(16-8-10-24-11-9-16)25-26-22(27)32-13-20(29)15-3-6-17(7-4-15)28(30)31/h2-12H,13H2,1H3InChIKey
SFIWXSNNMBVXCQ-UHFFFAOYSA-NSynonyms
2((4(3chloro4methylphenyl)5(pyridin4yl)4H124triazol3yl)sulfanyl)1(4nitrophenyl)ethanone
2((4(3CHLORO4METHYLPHENYL)5PYRIDIN4YL124TRIAZOL3YL)SULFANYL)1(4NITROPHENYL)ETHANONE
CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)(N+)(=O)(O))C4=CC=NC=C4)Cl
InChI=1SC22H16ClN5O3Sc1142518(1219(14)23)2721(168102411916)252622(27)321320(29)153617(7415)28(30)31h212H13H21H3
MFCD06631507
O=C(c1ccc(cc1)(N+)(=O)(O))CSc1nnc(n1c1ccc(c(c1)Cl)C)c1ccncc1
ZINC000009291062
ZINC09291062
ZINC9291062
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