Vitas-M small molecule compound
prop-2-en-1-yl 10-methoxy-2-methyl-3-(3-methylphenyl)-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL092818
SMILES C=CCOC(=O)C1C2NC(=S)N(C1(C)Oc1c2cccc1OC)c1cccc(c1)C
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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 C23H24N2O4S MW 424.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N2O4S/c1-5-12-28-21(26)18-19-16-10-7-11-17(27-4)20(16)29-23(18,3)25(22(30)24-19)15-9-6-8-14(2)13-15/h5-11,13,18-19H,1,12H2,2-4H3,(H,24,30)InChIKey
OOADWFZDCKAFRU-UHFFFAOYSA-NSynonyms
CC1=CC(=CC=C1)N2C(=S)NC3C(C2(OC4=C3C=CC=C4OC)C)C(=O)OCC=C
InChI=1SC23H24N2O4Sc15122821(26)1819161071117(274)20(16)2923(183)25(22(30)2419)1596814(2)1315h511131819H112H224H3(H2430)
MFCD15086160
prop2en1yl10methoxy2methyl3(3methylphenyl)4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
ZINC000100031520
ZINC000104787091
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