Vitas-M small molecule compound
5-(4-chlorobenzyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK784267
SMILES Clc1ccc(cc1)Cc1nnc(n1c1ccc2c(c1)OCCO2)S
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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 C17H14ClN3O2S MW 359.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14ClN3O2S/c18-12-3-1-11(2-4-12)9-16-19-20-17(24)21(16)13-5-6-14-15(10-13)23-8-7-22-14/h1-6,10H,7-9H2,(H,20,24)InChIKey
TWAWZXAFRHLNDM-UHFFFAOYSA-NSynonyms
878420-91-83((4CHLOROPHENYL)METHYL)4(23DIHYDRO14BENZODIOXIN6YL)1H124TRIAZOLE5THIONE
5(4chlorobenzyl)4(23dihydro14benzodioxin6yl)4H124triazole3thiol
878420918
C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)CC4=CC=C(C=C4)Cl
InChI=1SC17H14ClN3O2Sc18123111(2412)916192017(24)21(16)13561415(1013)23872214h1610H79H2(H2024)
MFCD06605959
ZINC000005706037
ZINC05706037
ZINC5706037
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