Vitas-M small molecule compound
ethyl 4-{[(2Z)-6-[(4-ethoxyphenyl)carbamoyl]-4-oxo-3-(2,3,4,5-tetrafluorobenzyl)-1,3-thiazinan-2-ylidene]amino}benzoate
Catalog ID
STK113355
SMILES CCOc1ccc(cc1)NC(=O)C1CC(=O)N(/C(=N/c2ccc(cc2)C(=O)OCC)/S1)Cc1cc(F)c(c(c1F)F)F
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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 C29H25F4N3O5S MW 603.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25F4N3O5S/c1-3-40-20-11-9-18(10-12-20)34-27(38)22-14-23(37)36(15-17-13-21(30)25(32)26(33)24(17)31)29(42-22)35-19-7-5-16(6-8-19)28(39)41-4-2/h5-13,22H,3-4,14-15H2,1-2H3,(H,34,38)/b35-29-InChIKey
NWCVPXAEEFZWNC-MJPNWULPSA-NSynonyms
CCOc1ccc(cc1)NC(=O)C1CC(=O)N(C(=Nc2ccc(cc2)C(=O)OCC)S1)Cc1cc(F)c(c(c1F)F)F
ethyl4(((2Z)6((4ethoxyphenyl)carbamoyl)4oxo3(2345tetrafluorobenzyl)13thiazinan2ylidene)amino)benzoate
MFCD03941594
ZINC000097959696
ZINC000097959697
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