Vitas-M small molecule compound

methyl (2E)-{(2Z)-2-[2-(benzylamino)-1-cyano-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene}ethanoate

Catalog ID
STK740805
SMILES N#C/C(=c\1/s/c(=C/C(=O)OC)/c(=O)n1c1ccccc1)/C(=O)NCc1ccccc1

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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 C22H17N3O4S MW 419.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O4S/c1-29-19(26)12-18-21(28)25(16-10-6-3-7-11-16)22(30-18)17(13-23)20(27)24-14-15-8-4-2-5-9-15/h2-12H,14H2,1H3,(H,24,27)/b18-12+,22-17-
InChIKey
UHVOPBHOCUTTBX-JPTVTEEHSA-N
Synonyms
634164-77-5
(2(1BENZYLCARBAMOYL1CYANOMETH(Z)YLIDENE)4OXO3PHENYLTHIAZOLIDIN(5E)YLIDENE)ACETICACIDMETHYLESTER
(E)methyl2((Z)2(2(benzylamino)1cyano2oxoethylidene)4oxo3phenylthiazolidin5ylidene)acetate
634164775
COC(=O)C=C1C(=O)N(C(=C(C#N)C(=O)NCC2=CC=CC=C2)S1)C3=CC=CC=C3
InChI=1SC22H17N3O4Sc12919(26)121821(28)25(16106371116)22(3018)17(1323)20(27)2414158425915h212H14H21H3(H2427)b1812+2217
methyl(2E)((2Z)2(2(benzylamino)1cyano2oxoethylidene)4oxo3phenyl13thiazolidin5ylidene)ethanoate
methyl(2E)2((2Z)2(2(benzylamino)1cyano2oxoethylidene)4oxo3phenyl13thiazolidin5ylidene)acetate
METHYL2(2(CYANO(NBENZYLCARBAMOYL)METHYLENE)4OXO3PHENYL13THIAZOLIDIN5YLIDENE)ACETATE
MFCD03675466
N#CC(=c1sc(=CC(=O)OC)c(=O)n1c1ccccc1)C(=O)NCc1ccccc1
ZINC000000958949
ZINC00958949
ZINC958949

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Available files

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