Vitas-M small molecule compound
(2E)-13-acetyl-2-[4-(benzyloxy)benzylidene]-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one
Catalog ID
STL176588
SMILES O=c1/c(=C\c2ccc(cc2)OCc2ccccc2)/sc2=NC3(C(C(n12)c1ccccc1O3)C(=O)C)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 C29H24N2O4S MW 496.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O4S/c1-18(32)25-26-22-10-6-7-11-23(22)35-29(25,2)30-28-31(26)27(33)24(36-28)16-19-12-14-21(15-13-19)34-17-20-8-4-3-5-9-20/h3-16,25-26H,17H2,1-2H3/b24-16+InChIKey
FFSALBXSOSQVEY-LFVJCYFKSA-NSynonyms
1025149-14-7(2E)13acetyl2(4(benzyloxy)benzylidene)5methyl5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocin1(2H)one
1025149147
CC(=O)C1C2C3=CC=CC=C3OC1(N=C4N2C(=O)C(=CC5=CC=C(C=C5)OCC6=CC=CC=C6)S4)C
InChI=1SC29H24N2O4Sc118(32)25262210671123(22)3529(252)302831(26)27(33)24(3628)1619121421(151319)3417208435920h3162526H17H212H3b2416+
MFCD04049685
O=c1c(=Cc2ccc(cc2)OCc2ccccc2)sc2=NC3(C(C(n12)c1ccccc1O3)C(=O)C)C
ZINC000226374935
ZINC000226374942
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