Vitas-M small molecule compound
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1H-indol-3-yl)ethanone
Catalog ID
STL415855
SMILES CCn1c(SCC(=O)c2c[nH]c3c2cccc3)nnc1c1ccc2c(c1)OCCCO2
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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/c1-2-27-22(15-8-9-20-21(12-15)30-11-5-10-29-20)25-26-23(27)31-14-19(28)17-13-24-18-7-4-3-6-16(17)18/h3-4,6-9,12-13,24H,2,5,10-11,14H2,1H3InChIKey
ZCSMGIXKPBGBCM-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4ethyl124triazol3yl)sulfanyl)1(1Hindol3yl)ethanone
2((5(34dihydro2H15benzodioxepin7yl)4ethyl4H124triazol3yl)sulfanyl)1(1Hindol3yl)ethanone
CCN1C(=NN=C1SCC(=O)C2=CNC3=CC=CC=C32)C4=CC5=C(C=C4)OCCCO5
CCn1c(SCC(=O)c2c(nH)c3c2cccc3)nnc1c1ccc2c(c1)OCCCO2
InChI=1SC23H22N4O3Sc122722(15892021(1215)30115102920)252623(27)311419(28)17132418743616(17)18h3469121324H25101114H21H3
MFCD27220690
ZINC000021723320
ZINC21723320
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