Vitas-M small molecule compound
2-{[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1H-indol-3-yl)ethanone
Catalog ID
STK249799
SMILES Cn1c(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 C21H18N4O3S MW 406.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O3S/c1-25-20(13-6-7-18-19(10-13)28-9-8-27-18)23-24-21(25)29-12-17(26)15-11-22-16-5-3-2-4-14(15)16/h2-7,10-11,22H,8-9,12H2,1H3InChIKey
NPEKKNJJXWCJHE-UHFFFAOYSA-NSynonyms
2((5(23dihydro14benzodioxin6yl)4methyl124triazol3yl)sulfanyl)1(1Hindol3yl)ethanone
2((5(23DIHYDRO14BENZODIOXIN6YL)4METHYL4H124TRIAZOL3YL)SULFANYL)1(1HINDOL3YL)ETHANONE
CN1C(=NN=C1SCC(=O)C2=CNC3=CC=CC=C32)C4=CC5=C(C=C4)OCCO5
Cn1c(SCC(=O)c2c(nH)c3c2cccc3)nnc1c1ccc2c(c1)OCCO2
InChI=1SC21H18N4O3Sc12520(13671819(1013)28982718)232421(25)291217(26)15112216532414(15)16h27101122H8912H21H3
MFCD08672390
ZINC000009668583
ZINC09668583
ZINC9668583
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