Vitas-M small molecule compound
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STK447182
SMILES Cc1ccccc1OCc1nnc(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 C18H17N3O3S MW 355.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O3S/c1-12-4-2-3-5-14(12)24-11-17-19-20-18(25)21(17)13-6-7-15-16(10-13)23-9-8-22-15/h2-7,10H,8-9,11H2,1H3,(H,20,25)InChIKey
YRXNPGAJPMVOAD-UHFFFAOYSA-NSynonyms
4(23dihydro14benzodioxin6yl)3((2methylphenoxy)methyl)1H124triazole5thione
4(23dihydro14benzodioxin6yl)5((2methylphenoxy)methyl)4H124triazole3thiol
4(2H3HBENZO(34E)14DIOXAN6YL)5((2METHYLPHENOXY)METHYL)124TRIAZOLE3THIOL
CC1=CC=CC=C1OCC2=NNC(=S)N2C3=CC4=C(C=C3)OCCO4
InChI=1SC18H17N3O3Sc112423514(12)241117192018(25)21(17)13671516(1013)23982215h2710H8911H21H3(H2025)
MFCD04059624
ZINC000006789823
ZINC06789823
ZINC6789823
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