Vitas-M small molecule compound
(2-methoxyphenyl)(2-methyl-3-phenyl-4-thioxo-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl)methanone
Catalog ID
STL166063
SMILES COc1ccccc1C(=O)N1C2CC(N(C1=S)c1ccccc1)(C)Oc1c2cccc1
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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 C25H22N2O3S MW 430.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O3S/c1-25-16-20(18-12-6-9-15-22(18)30-25)26(23(28)19-13-7-8-14-21(19)29-2)24(31)27(25)17-10-4-3-5-11-17/h3-15,20H,16H2,1-2H3InChIKey
IXCRVMZFUPVDRA-UHFFFAOYSA-NSynonyms
(2methoxyphenyl)(2methyl3phenyl4thioxo34dihydro2H26methano135benzoxadiazocin5(6H)yl)methanone
CC12CC(C3=CC=CC=C3O1)N(C(=S)N2C4=CC=CC=C4)C(=O)C5=CC=CC=C5OC
InChI=1SC25H22N2O3Sc1251620(1812691522(18)3025)26(23(28)1913781421(19)292)24(31)27(25)17104351117h31520H16H212H3
MFCD14741434
ZINC000100034284
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