Vitas-M small molecule compound
2-{[5-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
Catalog ID
STK807067
SMILES COc1ccc(cc1)n1c(SCC(=O)c2ccccc2)nnc1c1ccc2c(c1)OCO2
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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 C24H19N3O4S MW 445.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19N3O4S/c1-29-19-10-8-18(9-11-19)27-23(17-7-12-21-22(13-17)31-15-30-21)25-26-24(27)32-14-20(28)16-5-3-2-4-6-16/h2-13H,14-15H2,1H3InChIKey
JPXBYTXJAWIRBL-UHFFFAOYSA-NSynonyms
2((5(13BENZODIOXOL5YL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
2((5(13benzodioxol5yl)4(4methoxyphenyl)4H124triazol3yl)sulfanyl)1phenylethanone
2(5(2HBENZO(34D)13DIOXOLAN5YL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))1PHENYLETHAN1ONE
COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5
InChI=1SC24H19N3O4Sc1291910818(91119)2723(177122122(1317)31153021)252624(27)321420(28)165324616h213H1415H21H3
MFCD03621170
ZINC000001468055
ZINC01468055
ZINC1468055
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