Vitas-M small molecule compound

4-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STK631231
SMILES COc1cc(ccc1OC)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/c1-22-13-6-4-12(8-15(13)23-2)17-19-20-18(26)21(17)9-11-3-5-14-16(7-11)25-10-24-14/h3-8H,9-10H2,1-2H3,(H,20,26)
InChIKey
VAMNRBCGBQDZLJ-UHFFFAOYSA-N
Synonyms
951994-96-0
4(13benzodioxol5ylmethyl)3(34dimethoxyphenyl)1H124triazole5thione
4(13benzodioxol5ylmethyl)5(34dimethoxyphenyl)24dihydro3H124triazole3thione
951994960
COC1=C(C=C(C=C1)C2=NNC(=S)N2CC3=CC4=C(C=C3)OCO4)OC
COc1cc(ccc1OC)c1n(nH)c(=S)n1Cc1ccc2c(c1)OCO2
InChI=1SC18H17N3O4Sc122136412(815(13)232)17192018(26)21(17)911351416(711)25102414h38H910H212H3(H2026)
MFCD18159452
ZINC000013683162
ZINC13683162

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Available files

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