Vitas-M small molecule compound
(4E)-5-(4-chlorophenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(4-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK604244
SMILES COc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)Cl)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)CC)/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/c1-3-15-4-13-20-21(14-15)35-27(29-20)30-23(16-5-9-18(28)10-6-16)22(25(32)26(30)33)24(31)17-7-11-19(34-2)12-8-17/h4-14,23,31H,3H2,1-2H3/b24-22+InChIKey
QKMZNESQSNHSFS-ZNTNEXAZSA-NSynonyms
618421-45-7(4E)5(4chlorophenyl)1(6ethyl13benzothiazol2yl)4(hydroxy(4methoxyphenyl)methylidene)pyrrolidine23dione
5(4CHLOROPHENYL)1(6ETHYLBENZOTHIAZOL2YL)3HYDROXY4((4METHOXYPHENYL)CARBONYL)3PYRROLIN2ONE
618421457
CCC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=C(C=C4)OC)O)C(=O)C3=O)C5=CC=C(C=C5)Cl
COc1ccc(cc1)C(=C1C(c2ccc(cc2)Cl)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)CC)O
InChI=1SC27H21ClN2O4Sc13154132021(1415)3527(2920)3023(165918(28)10616)22(25(32)26(30)33)24(31)1771119(342)12817h4142331H3H212H3b2422+
MFCD08735617
ZINC000102696983
ZINC000102696987
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