Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-5-propyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STK444322
SMILES CCCc1nnc(n1c1ccc2c(c1)OCO2)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 C12H13N3O2S MW 263.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N3O2S/c1-2-3-11-13-14-12(18)15(11)8-4-5-9-10(6-8)17-7-16-9/h4-6H,2-3,7H2,1H3,(H,14,18)InChIKey
MBBDNCIMCYMRNY-UHFFFAOYSA-NSynonyms
4(13benzodioxol5yl)3propyl1H124triazole5thione
4(13benzodioxol5yl)5propyl4H124triazole3thiol
4(2HBENZO(34D)13DIOXOLAN5YL)5PROPYL124TRIAZOLE3THIOL
CCCC1=NNC(=S)N1C2=CC3=C(C=C2)OCO3
InChI=1SC12H13N3O2Sc12311131412(18)15(11)845910(68)177169h46H237H21H3(H1418)
MFCD04055504
ZINC000006391511
ZINC06391511
ZINC6391511
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