Vitas-M small molecule compound
ethyl (2E)-2-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-5-methyl-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate
Catalog ID
STL176442
SMILES CCOC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)/c(=C\c2ccc(o2)c2cccc(c2)Cl)/s1
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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 C27H21ClN2O5S MW 520.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21ClN2O5S/c1-3-33-25(32)22-23-18-9-4-5-10-20(18)35-27(22,2)29-26-30(23)24(31)21(36-26)14-17-11-12-19(34-17)15-7-6-8-16(28)13-15/h4-14,22-23H,3H2,1-2H3/b21-14+InChIKey
IAQJWOBMWFYWCP-KGENOOAVSA-NSynonyms
1024891-21-11024891211
CCOC(=O)C1C2C3=CC=CC=C3OC1(N=C4N2C(=O)C(=CC5=CC=C(O5)C6=CC(=CC=C6)Cl)S4)C
CCOC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)c(=Cc2ccc(o2)c2cccc(c2)Cl)s1
ethyl(2E)2((5(3chlorophenyl)furan2yl)methylidene)5methyl1oxo12dihydro5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocine13carboxylate
InChI=1SC27H21ClN2O5Sc133325(32)2223189451020(18)3527(222)292630(23)24(31)21(3626)1417111219(3417)1576816(28)1315h4142223H3H212H3b2114+
MFCD04048795
ZINC000105543123
ZINC000105543126
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