Vitas-M small molecule compound

2-{[5-(1,3-benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone

Catalog ID
STK804095
SMILES O=C(c1ccccc1)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 C23H17N3O3S MW 415.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N3O3S/c27-19(16-7-3-1-4-8-16)14-30-23-25-24-22(26(23)18-9-5-2-6-10-18)17-11-12-20-21(13-17)29-15-28-20/h1-13H,14-15H2
InChIKey
XZTIPEJXNTWQCR-UHFFFAOYSA-N
Synonyms
325694-50-6
2((5(13BENZODIOXOL5YL)4PHENYL124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
2((5(13benzodioxol5yl)4phenyl4H124triazol3yl)sulfanyl)1phenylethanone
2((5(13BENZODIOXOL5YL)4PHENYL4H124TRIAZOL3YL)THIO)1PHENYLETHANONE
2((5(benzo(d)(13)dioxol5yl)4phenyl4H124triazol3yl)thio)1phenylethanone
2(5(2HBENZO(34D)13DIOXOLEN5YL)4PHENYL(124TRIAZOL3YLTHIO))1PHENYLETHAN1ONE
2(5(BENZO(D)(13)DIOXOL5YL)4PHENYL4H124TRIAZOL3YLTHIO)1PHENYLETHANONE
325694506
C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)C5=CC=CC=C5
InChI=1SC23H17N3O3Sc2719(167314816)143023252422(26(23)1895261018)1711122021(1317)29152820h113H1415H2
MFCD01951875
ZINC000001213136
ZINC01213136
ZINC1213136

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Available files

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