Vitas-M small molecule compound

diethyl (2,2-bis{[(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl]sulfanyl}-1-cyanoethenyl)phosphonate

Catalog ID
STK527355
SMILES CCOP(=O)(/C(=C(/SCn1c(=O)oc2c1ccc(c2)Cl)\SCn1c(=O)oc2c1ccc(c2)Cl)/C#N)OCC

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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 C23H20Cl2N3O7PS2 MW 616.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20Cl2N3O7PS2/c1-3-32-36(31,33-4-2)20(11-26)21(37-12-27-16-7-5-14(24)9-18(16)34-22(27)29)38-13-28-17-8-6-15(25)10-19(17)35-23(28)30/h5-10H,3-4,12-13H2,1-2H3
InChIKey
KLUMUTFGVHCHSV-UHFFFAOYSA-N
Synonyms

33BIS((6CHLORO2OXO13BENZOXAZOL3YL)METHYLSULFANYL)2DIETHOXYPHOSPHORYLPROP2ENENITRILE
CCOP(=O)(C(=C(SCn1c(=O)oc2c1ccc(c2)Cl)SCn1c(=O)oc2c1ccc(c2)Cl)C#N)OCC
CCOP(=O)(C(=C(SCN1C2=C(C=C(C=C2)Cl)OC1=O)SCN3C4=C(C=C(C=C4)Cl)OC3=O)C#N)OCC
diethyl(22bis(((6chloro2oxo13benzoxazol3(2H)yl)methyl)sulfanyl)1cyanoethenyl)phosphonate
diethyl(22bis(((6chloro2oxobenzo(d)oxazol3(2H)yl)methyl)thio)1cyanovinyl)phosphonate
InChI=1SC23H20Cl2N3O7PS2c133236(313342)20(1126)21(371227167514(24)918(16)3422(27)29)381328178615(25)1019(17)3523(28)30h510H341213H212H3
MFCD01557506
ZINC000102403252
ZINC102403252

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.