Vitas-M small molecule compound
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STK447179
SMILES CCc1nnc(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 C12H13N3O2S MW 263.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N3O2S/c1-2-11-13-14-12(18)15(11)8-3-4-9-10(7-8)17-6-5-16-9/h3-4,7H,2,5-6H2,1H3,(H,14,18)InChIKey
CXBVDVDYTBDXAB-UHFFFAOYSA-NSynonyms
4(23dihydro14benzodioxin6yl)3ethyl1H124triazole5thione
4(23dihydro14benzodioxin6yl)5ethyl4H124triazole3thiol
4(2H3HBENZO(34E)14DIOXAN6YL)5ETHYL124TRIAZOLE3THIOL
CCC1=NNC(=S)N1C2=CC3=C(C=C2)OCCO3
InChI=1SC12H13N3O2Sc1211131412(18)15(11)834910(78)1765169h347H256H21H3(H1418)
MFCD04059905
ZINC000006395576
ZINC06395576
ZINC6395576
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