Vitas-M small molecule compound
ethyl 4-{[(2Z)-6-[(4-butoxyphenyl)carbamoyl]-3-(4-chlorobenzyl)-4-oxo-1,3-thiazinan-2-ylidene]amino}benzoate
Catalog ID
STL018818
SMILES CCCCOc1ccc(cc1)NC(=O)C1CC(=O)N(/C(=N/c2ccc(cc2)C(=O)OCC)/S1)Cc1ccc(cc1)Cl
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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 C31H32ClN3O5S MW 594.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32ClN3O5S/c1-3-5-18-40-26-16-14-24(15-17-26)33-29(37)27-19-28(36)35(20-21-6-10-23(32)11-7-21)31(41-27)34-25-12-8-22(9-13-25)30(38)39-4-2/h6-17,27H,3-5,18-20H2,1-2H3,(H,33,37)/b34-31-InChIKey
LBERJZYQBWTTRK-NMSHJFGGSA-NSynonyms
(Z)ethyl4((6((4butoxyphenyl)carbamoyl)3(4chlorobenzyl)4oxo13thiazinan2ylidene)amino)benzoate
CCCCOc1ccc(cc1)NC(=O)C1CC(=O)N(C(=Nc2ccc(cc2)C(=O)OCC)S1)Cc1ccc(cc1)Cl
ethyl4(((2Z)6((4butoxyphenyl)carbamoyl)3(4chlorobenzyl)4oxo13thiazinan2ylidene)amino)benzoate
MFCD02648591
ZINC000103140501
ZINC000103140504
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