Vitas-M small molecule compound
(4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]-5-(thiophen-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK630027
SMILES COc1cccc(c1)/C(=C\1/C(c2cccs2)N(C(=O)C1=O)c1nc2c(s1)cc(cc2C)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 C25H20N2O4S2 MW 476.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O4S2/c1-13-10-14(2)20-18(11-13)33-25(26-20)27-21(17-8-5-9-32-17)19(23(29)24(27)30)22(28)15-6-4-7-16(12-15)31-3/h4-12,21,28H,1-3H3/b22-19+InChIKey
YGQAHDSXWZYFET-ZBJSNUHESA-NSynonyms
607688-01-7(4E)1(46dimethyl13benzothiazol2yl)4(hydroxy(3methoxyphenyl)methylidene)5(thiophen2yl)pyrrolidine23dione
(4E)1(46DIMETHYL13BENZOTHIAZOL2YL)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)5THIOPHEN2YLPYRROLIDINE23DIONE
607688017
CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC(=CC=C4)OC)O)C(=O)C3=O)C5=CC=CS5)C
COc1cccc(c1)C(=C1C(c2cccs2)N(C(=O)C1=O)c1nc2c(s1)cc(cc2C)C)O
InChI=1SC25H20N2O4S2c1131014(2)2018(1113)3325(2620)2721(178593217)19(23(29)24(27)30)22(28)1564716(1215)313h4122128H13H3b2219+
MFCD09792789
ZINC000102733273
ZINC000102733275
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