Vitas-M small molecule compound
4-(1,3-benzodioxol-5-ylmethyl)-5-(3,5-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK629271
SMILES COc1cc(OC)cc(c1)c1n[nH]c(=S)n1Cc1ccc2c(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 C18H17N3O4S MW 371.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O4S/c1-22-13-6-12(7-14(8-13)23-2)17-19-20-18(26)21(17)9-11-3-4-15-16(5-11)25-10-24-15/h3-8H,9-10H2,1-2H3,(H,20,26)InChIKey
RVBBACXDKZOTCM-UHFFFAOYSA-NSynonyms
951994-59-54(13benzodioxol5ylmethyl)3(35dimethoxyphenyl)1H124triazole5thione
4(13benzodioxol5ylmethyl)5(35dimethoxyphenyl)24dihydro3H124triazole3thione
951994595
COC1=CC(=CC(=C1)C2=NNC(=S)N2CC3=CC4=C(C=C3)OCO4)OC
COc1cc(OC)cc(c1)c1n(nH)c(=S)n1Cc1ccc2c(c1)OCO2
InChI=1SC18H17N3O4Sc12213612(714(813)232)17192018(26)21(17)911341516(511)25102415h38H910H212H3(H2026)
MFCD18159317
ZINC000013690938
ZINC13690938
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