Vitas-M small molecule compound
4-(1,3-benzodioxol-5-ylmethyl)-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK628618
SMILES S=c1[nH]nc(n1Cc1ccc2c(c1)OCO2)COc1ccccc1
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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 C17H15N3O3S MW 341.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O3S/c24-17-19-18-16(10-21-13-4-2-1-3-5-13)20(17)9-12-6-7-14-15(8-12)23-11-22-14/h1-8H,9-11H2,(H,19,24)InChIKey
LBMAGRPKAHOXQA-UHFFFAOYSA-NSynonyms
951958-92-24(13benzodioxol5ylmethyl)3(phenoxymethyl)1H124triazole5thione
4(13benzodioxol5ylmethyl)5(phenoxymethyl)24dihydro3H124triazole3thione
4(benzo(d)(13)dioxol5ylmethyl)3(phenoxymethyl)1H124triazole5(4H)thione
951958922
C1OC2=C(O1)C=C(C=C2)CN3C(=NNC3=S)COC4=CC=CC=C4
InChI=1SC17H15N3O3Sc2417191816(1021134213513)20(17)912671415(812)23112214h18H911H2(H1924)
MFCD09854854
S=c1(nH)nc(n1Cc1ccc2c(c1)OCO2)COc1ccccc1
ZINC000013720395
ZINC13720395
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