Vitas-M small molecule compound
(4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-5-(4-propoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STL050434
SMILES CCCOc1ccc(cc1)C1/C(=C(/c2ccc(c(c2)C)OC)\O)/C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C
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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 C31H30N2O5S MW 542.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N2O5S/c1-6-13-38-22-10-7-20(8-11-22)27-25(28(34)21-9-12-23(37-5)18(3)16-21)29(35)30(36)33(27)31-32-26-19(4)14-17(2)15-24(26)39-31/h7-12,14-16,27,34H,6,13H2,1-5H3/b28-25+InChIKey
WMOCAAURMBUKMR-AZPGRJICSA-NSynonyms
618418-77-2(4E)1(46dimethyl13benzothiazol2yl)4(hydroxy(4methoxy3methylphenyl)methylidene)5(4propoxyphenyl)pyrrolidine23dione
1(46DIMETHYLBENZOTHIAZOL2YL)3HYDROXY4((4METHOXY3METHYLPHENYL)CARBONYL)5(4PROPOXYPHENYL)3PYRROLIN2ONE
618418772
CCCOC1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OC)C)O)C(=O)C(=O)N2C4=NC5=C(C=C(C=C5S4)C)C
CCCOc1ccc(cc1)C1C(=C(c2ccc(c(c2)C)OC)O)C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C
InChI=1SC31H30N2O5Sc1613382210720(81122)2725(28(34)2191223(375)18(3)1621)29(35)30(36)33(27)31322619(4)1417(2)1524(26)3931h71214162734H613H215H3b2825+
MFCD05726442
ZINC000102887368
ZINC000102887369
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