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-(1H-indol-3-yl)ethanone
Catalog ID
STK279362
SMILES CCn1c(SCC(=O)c2c[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 C22H20N4O3S MW 420.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O3S/c1-2-26-21(14-7-8-19-20(11-14)29-10-9-28-19)24-25-22(26)30-13-18(27)16-12-23-17-6-4-3-5-15(16)17/h3-8,11-12,23H,2,9-10,13H2,1H3InChIKey
HNFLCPZBABMYKQ-UHFFFAOYSA-NSynonyms
2((5(23dihydro14benzodioxin6yl)4ethyl124triazol3yl)sulfanyl)1(1Hindol3yl)ethanone
2((5(23DIHYDRO14BENZODIOXIN6YL)4ETHYL4H124TRIAZOL3YL)SULFANYL)1(1HINDOL3YL)ETHANONE
CCN1C(=NN=C1SCC(=O)C2=CNC3=CC=CC=C32)C4=CC5=C(C=C4)OCCO5
CCn1c(SCC(=O)c2c(nH)c3c2cccc3)nnc1c1ccc2c(c1)OCCO2
InChI=1SC22H20N4O3Sc122621(14781920(1114)291092819)242522(26)301318(27)16122317643515(16)17h38111223H291013H21H3
MFCD09269800
ZINC000009193261
ZINC09193261
ZINC9193261
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