Vitas-M small molecule compound
ethyl 4-{2,5-dimethyl-3-[(Z)-{(2E)-2-[(4-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl]-1H-pyrrol-1-yl}benzoate
Catalog ID
STK068928
SMILES CCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)/C=C/1\S/C(=N/c2ccc(cc2)C)/NC1=O
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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 C26H25N3O3S MW 459.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O3S/c1-5-32-25(31)19-8-12-22(13-9-19)29-17(3)14-20(18(29)4)15-23-24(30)28-26(33-23)27-21-10-6-16(2)7-11-21/h6-15H,5H2,1-4H3,(H,27,28,30)/b23-15-InChIKey
LBZAGURVYFRUPP-HAHDFKILSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)N=C(S3)NC4=CC=C(C=C4)C)C
CCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)C=C1SC(=Nc2ccc(cc2)C)NC1=O
ETHYL4(25DIMETHYL3((Z)((2E)2((4METHYLPHENYL)IMINO)4OXO13THIAZOLIDIN5YLIDENE)METHYL)1HPYRROL1YL)BENZOATE
ethyl4(25dimethyl3((Z)((E)4oxo2(ptolylimino)thiazolidin5ylidene)methyl)1Hpyrrol1yl)benzoate
ETHYL4(25DIMETHYL3((Z)(2(4METHYLANILINO)4OXO13THIAZOL5YLIDENE)METHYL)PYRROL1YL)BENZOATE
InChI=1SC26H25N3O3Sc153225(31)1981222(13919)2917(3)1420(18(29)4)152324(30)2826(3323)272110616(2)71121h615H5H214H3(H272830)b2315
MFCD02379300
STK068928
ZINC000009348095
ZINC09348095
ZINC9348095
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