Vitas-M small molecule compound
2-{[5-(1,3-benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
Catalog ID
STK804122
SMILES O=C(c1cccc(c1)[N+](=O)[O-])CSc1nnc(n1c1ccccc1)c1ccc2c(c1)OCO2
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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 C23H16N4O5S MW 460.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16N4O5S/c28-19(15-5-4-8-18(11-15)27(29)30)13-33-23-25-24-22(26(23)17-6-2-1-3-7-17)16-9-10-20-21(12-16)32-14-31-20/h1-12H,13-14H2InChIKey
HESPTOGAJGUCRN-UHFFFAOYSA-NSynonyms
325694-49-32((5(13BENZODIOXOL5YL)4PHENYL124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
2((5(13benzodioxol5yl)4phenyl4H124triazol3yl)sulfanyl)1(3nitrophenyl)ethanone
2((5(benzo(d)(13)dioxol5yl)4phenyl4H124triazol3yl)thio)1(3nitrophenyl)ethanone
2(5(2HBENZO(34D)13DIOXOLEN5YL)4PHENYL(124TRIAZOL3YLTHIO))1(3NITROPHENYL)ETHAN1ONE
325694493
C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)C5=CC(=CC=C5)(N+)(=O)(O)
InChI=1SC23H16N4O5Sc2819(1554818(1115)27(29)30)133323252422(26(23)176213717)169102021(1216)32143120h112H1314H2
MFCD01947646
O=C(c1cccc(c1)(N+)(=O)(O))CSc1nnc(n1c1ccccc1)c1ccc2c(c1)OCO2
ZINC000001026533
ZINC01026533
ZINC1026533
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