Vitas-M small molecule compound
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1H-indol-3-yl)ethanone
Catalog ID
STL406145
SMILES Cn1c(SCC(=O)c2c[nH]c3c2cccc3)nnc1Cc1ccc2c(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/c1-27-22(12-15-7-8-20-21(11-15)30-10-4-9-29-20)25-26-23(27)31-14-19(28)17-13-24-18-6-3-2-5-16(17)18/h2-3,5-8,11,13,24H,4,9-10,12,14H2,1H3InChIKey
ZKLIPTPSQFPIGR-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7ylmethyl)4methyl124triazol3yl)sulfanyl)1(1Hindol3yl)ethanone
2((5(34dihydro2H15benzodioxepin7ylmethyl)4methyl4H124triazol3yl)sulfanyl)1(1Hindol3yl)ethanone
CN1C(=NN=C1SCC(=O)C2=CNC3=CC=CC=C32)CC4=CC5=C(C=C4)OCCCO5
Cn1c(SCC(=O)c2c(nH)c3c2cccc3)nnc1Cc1ccc2c(c1)OCCCO2
InChI=1SC23H22N4O3Sc12722(1215782021(1115)3010492920)252623(27)311419(28)17132418632516(17)18h2358111324H49101214H21H3
MFCD30704411
ZINC000101160996
ZINC101160996
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