Vitas-M small molecule compound
(4E)-5-(3-chlorophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(4-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL036933
SMILES COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Cl)c1sc2c(n1)c(C)cc(c2)C)/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 C27H21ClN2O4S MW 504.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21ClN2O4S/c1-14-11-15(2)22-20(12-14)35-27(29-22)30-23(17-5-4-6-18(28)13-17)21(25(32)26(30)33)24(31)16-7-9-19(34-3)10-8-16/h4-13,23,31H,1-3H3/b24-21+InChIKey
MCJKGDYVWPLUEZ-DARPEHSRSA-NSynonyms
514194-22-0(4E)5(3chlorophenyl)1(46dimethyl13benzothiazol2yl)4(hydroxy(4methoxyphenyl)methylidene)pyrrolidine23dione
1(46DIMETHYLBENZOTHIAZOL2YL)5(3CHLOROPHENYL)3HYDROXY4((4METHOXYPHENYL)CARBONYL)3PYRROLIN2ONE
514194220
CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC=C(C=C4)OC)O)C(=O)C3=O)C5=CC(=CC=C5)Cl)C
COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Cl)c1sc2c(n1)c(C)cc(c2)C)O
InChI=1SC27H21ClN2O4Sc1141115(2)2220(1214)3527(2922)3023(1754618(28)1317)21(25(32)26(30)33)24(31)167919(343)10816h4132331H13H3b2421+
MFCD03796045
ZINC000102856754
ZINC000102856757
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