Vitas-M small molecule compound
(4E)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(4-methoxyphenyl)methylidene]-5-(thiophen-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK615863
SMILES COc1ccc(cc1)/C(=C\1/C(c2cccs2)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 C25H20N2O4S2 MW 476.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O4S2/c1-3-14-6-11-17-19(13-14)33-25(26-17)27-21(18-5-4-12-32-18)20(23(29)24(27)30)22(28)15-7-9-16(31-2)10-8-15/h4-13,21,28H,3H2,1-2H3/b22-20+InChIKey
BHQRIFQUIKTHRC-LSDHQDQOSA-NSynonyms
618422-02-9(4E)1(6ethyl13benzothiazol2yl)4(hydroxy(4methoxyphenyl)methylidene)5(thiophen2yl)pyrrolidine23dione
(4E)1(6ETHYL13BENZOTHIAZOL2YL)4(HYDROXY(4METHOXYPHENYL)METHYLIDENE)5THIOPHEN2YLPYRROLIDINE23DIONE
1(6ETHYLBENZOTHIAZOL2YL)3HYDROXY4((4METHOXYPHENYL)CARBONYL)5(2THIENYL)3PYRROLIN2ONE
618422029
CCC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=C(C=C4)OC)O)C(=O)C3=O)C5=CC=CS5
COc1ccc(cc1)C(=C1C(c2cccs2)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)CC)O
InChI=1SC25H20N2O4S2c13146111719(1314)3325(2617)2721(1854123218)20(23(29)24(27)30)22(28)157916(312)10815h4132128H3H212H3b2220+
MFCD08735576
ZINC000102714653
ZINC000102714654
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