Vitas-M small molecule compound
2-{[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-methyl-1H-indol-3-yl)ethanone
Catalog ID
STK279363
SMILES CCn1c(SCC(=O)c2c(C)[nH]c3c2cccc3)nnc1c1ccc2c(c1)OCCO2
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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 C23H22N4O3S MW 434.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O3S/c1-3-27-22(15-8-9-19-20(12-15)30-11-10-29-19)25-26-23(27)31-13-18(28)21-14(2)24-17-7-5-4-6-16(17)21/h4-9,12,24H,3,10-11,13H2,1-2H3InChIKey
WDBJDVWDSLJSDK-UHFFFAOYSA-NSynonyms
2((5(23dihydro14benzodioxin6yl)4ethyl124triazol3yl)sulfanyl)1(2methyl1Hindol3yl)ethanone
2((5(23DIHYDRO14BENZODIOXIN6YL)4ETHYL4H124TRIAZOL3YL)SULFANYL)1(2METHYL1HINDOL3YL)ETHANONE
CCN1C(=NN=C1SCC(=O)C2=C(NC3=CC=CC=C32)C)C4=CC5=C(C=C4)OCCO5
CCn1c(SCC(=O)c2c(C)(nH)c3c2cccc3)nnc1c1ccc2c(c1)OCCO2
InChI=1SC23H22N4O3Sc132722(15891920(1215)3011102919)252623(27)311318(28)2114(2)2417754616(17)21h491224H3101113H212H3
MFCD09269801
ZINC000009193262
ZINC09193262
ZINC9193262
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