Vitas-M small molecule compound

(4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-ethyl-1,3-benzothiazol-2-yl)-5-(3-methoxyphenyl)pyrrolidine-2,3-dione

Catalog ID
STK626839
SMILES COc1cccc(c1)C1N(c2nc3c(s2)cc(cc3)CC)C(=O)C(=O)/C/1=C(\c1ccc(cc1)Cl)/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/c1-3-15-7-12-20-21(13-15)35-27(29-20)30-23(17-5-4-6-19(14-17)34-2)22(25(32)26(30)33)24(31)16-8-10-18(28)11-9-16/h4-14,23,31H,3H2,1-2H3/b24-22+
InChIKey
NODVEEIKIVPJBY-ZNTNEXAZSA-N
Synonyms
618424-37-6
(4E)4((4chlorophenyl)(hydroxy)methylidene)1(6ethyl13benzothiazol2yl)5(3methoxyphenyl)pyrrolidine23dione
(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)1(6ETHYL13BENZOTHIAZOL2YL)5(3METHOXYPHENYL)PYRROLIDINE23DIONE
4((4CHLOROPHENYL)CARBONYL)1(6ETHYLBENZOTHIAZOL2YL)3HYDROXY5(3METHOXYPHENYL)3PYRROLIN2ONE
618424376
CCC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=C(C=C4)Cl)O)C(=O)C3=O)C5=CC(=CC=C5)OC
COc1cccc(c1)C1N(c2nc3c(s2)cc(cc3)CC)C(=O)C(=O)C1=C(c1ccc(cc1)Cl)O
InChI=1SC27H21ClN2O4Sc13157122021(1315)3527(2920)3023(1754619(1417)342)22(25(32)26(30)33)24(31)1681018(28)11916h4142331H3H212H3b2422+
MFCD09790705
ZINC000102729451
ZINC000102729453

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Available files

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