Vitas-M small molecule compound
2-({5-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethanone
Catalog ID
STK807849
SMILES COc1ccc(cc1)n1c(COc2ccc3c(c2)OCO3)nnc1SCC(=O)c1ccccc1
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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 C25H21N3O5S MW 475.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O5S/c1-30-19-9-7-18(8-10-19)28-24(14-31-20-11-12-22-23(13-20)33-16-32-22)26-27-25(28)34-15-21(29)17-5-3-2-4-6-17/h2-13H,14-16H2,1H3InChIKey
FWXTVXKIEGSPJQ-UHFFFAOYSA-NSynonyms
877818-86-52((5((13benzodioxol5yloxy)methyl)4(4methoxyphenyl)4H124triazol3yl)sulfanyl)1phenylethanone
2((5((BENZO(D)(13)DIOXOL5YLOXY)METHYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)THIO)1PHENYLETHANONE
2((5(13benzodioxol5yloxymethyl)4(4methoxyphenyl)124triazol3yl)sulfanyl)1phenylethanone
2(5(2HBENZO(34D)13DIOXOLAN5YLOXYMETHYL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))1PHENYLETHAN1ONE
877818865
COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)COC4=CC5=C(C=C4)OCO5
InChI=1SC25H21N3O5Sc130199718(81019)2824(14312011122223(1320)33163222)262725(28)341521(29)175324617h213H1416H21H3
MFCD06407555
ZINC000010381814
ZINC10381814
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