Vitas-M small molecule compound
5-(2-chloro-6-fluorobenzyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK447238
SMILES Sc1nnc(n1c1ccc2c(c1)OCCO2)Cc1c(F)cccc1Cl
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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 C17H13ClFN3O2S MW 377.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClFN3O2S/c18-12-2-1-3-13(19)11(12)9-16-20-21-17(25)22(16)10-4-5-14-15(8-10)24-7-6-23-14/h1-5,8H,6-7,9H2,(H,21,25)InChIKey
DRHJKVDBHWKWMM-UHFFFAOYSA-NSynonyms
3((2chloro6fluorophenyl)methyl)4(23dihydro14benzodioxin6yl)1H124triazole5thione
4(2H3HBENZO(34E)14DIOXAN6YL)5((2CHLORO6FLUOROPHENYL)METHYL)124TRIAZOLE3THIOL
5(2chloro6fluorobenzyl)4(23dihydro14benzodioxin6yl)4H124triazole3thiol
C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)CC4=C(C=CC=C4Cl)F
InChI=1SC17H13ClFN3O2Sc181221313(19)11(12)916202117(25)22(16)10451415(810)24762314h158H679H2(H2125)
MFCD04059609
ZINC000006402270
ZINC06402270
ZINC6402270
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