Vitas-M small molecule compound
[3-(4-ethylphenyl)-2-methyl-4-thioxo-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl](furan-2-yl)methanone
Catalog ID
STL141970
SMILES CCc1ccc(cc1)N1C(=S)N(C2CC1(C)Oc1c2cccc1)C(=O)c1ccco1
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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 C24H22N2O3S MW 418.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O3S/c1-3-16-10-12-17(13-11-16)26-23(30)25(22(27)21-9-6-14-28-21)19-15-24(26,2)29-20-8-5-4-7-18(19)20/h4-14,19H,3,15H2,1-2H3InChIKey
BOCCRRMOMFPJCF-UHFFFAOYSA-NSynonyms
(3(4ethylphenyl)2methyl4thioxo34dihydro2H26methano135benzoxadiazocin5(6H)yl)(furan2yl)methanone
CCC1=CC=C(C=C1)N2C(=S)N(C3CC2(OC4=CC=CC=C34)C)C(=O)C5=CC=CO5
InChI=1SC24H22N2O3Sc1316101217(131116)2623(30)25(22(27)2196142821)191524(262)2920854718(19)20h41419H315H212H3
MFCD20735693
ZINC000102906813
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