Vitas-M small molecule compound
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STK447170
SMILES Sc1nnc(n1c1ccc2c(c1)OCCO2)COc1ccc2c(c1)CCC2
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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 C20H19N3O3S MW 381.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O3S/c27-20-22-21-19(12-26-16-6-4-13-2-1-3-14(13)10-16)23(20)15-5-7-17-18(11-15)25-9-8-24-17/h4-7,10-11H,1-3,8-9,12H2,(H,22,27)InChIKey
QTFSRNNLSUQBLG-UHFFFAOYSA-NSynonyms
4(23dihydro14benzodioxin6yl)3(23dihydro1Hinden5yloxymethyl)1H124triazole5thione
4(23dihydro14benzodioxin6yl)5((23dihydro1Hinden5yloxy)methyl)4H124triazole3thiol
4(2H3HBENZO(34E)14DIOXAN6YL)5(INDAN5YLOXYMETHYL)124TRIAZOLE3THIOL
C1CC2=C(C1)C=C(C=C2)OCC3=NNC(=S)N3C4=CC5=C(C=C4)OCCO5
InChI=1SC20H19N3O3Sc2720222119(122616641321314(13)1016)23(20)15571718(1115)25982417h471011H138912H2(H2227)
MFCD04059566
ZINC000006402654
ZINC06402654
ZINC6402654
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