Vitas-M small molecule compound
(4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
Catalog ID
STK607425
SMILES COc1cccc(c1)/C(=C\1/C(c2ccccc2)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 C27H22N2O4S MW 470.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O4S/c1-15-12-16(2)22-20(13-15)34-27(28-22)29-23(17-8-5-4-6-9-17)21(25(31)26(29)32)24(30)18-10-7-11-19(14-18)33-3/h4-14,23,30H,1-3H3/b24-21+InChIKey
RINVAGNLWMZZJL-DARPEHSRSA-NSynonyms
607687-92-3(4E)1(46dimethyl13benzothiazol2yl)4(hydroxy(3methoxyphenyl)methylidene)5phenylpyrrolidine23dione
1(46DIMETHYLBENZOTHIAZOL2YL)3HYDROXY4((3METHOXYPHENYL)CARBONYL)5PHENYL3PYRROLIN2ONE
607687923
CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC(=CC=C4)OC)O)C(=O)C3=O)C5=CC=CC=C5)C
COc1cccc(c1)C(=C1C(c2ccccc2)N(C(=O)C1=O)c1nc2c(s1)cc(cc2C)C)O
InChI=1SC27H22N2O4Sc1151216(2)2220(1315)3427(2822)2923(178546917)21(25(31)26(29)32)24(30)181071119(1418)333h4142330H13H3b2421+
MFCD08737022
ZINC000102702849
ZINC000102702854
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