Vitas-M small molecule compound
(4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(4-ethoxy-3-methoxyphenyl)-4-[hydroxy(4-methoxy-3-methylphenyl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL052391
SMILES CCOc1ccc(cc1OC)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 C31H30N2O6S MW 558.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N2O6S/c1-7-39-22-11-8-19(15-23(22)38-6)27-25(28(34)20-9-10-21(37-5)17(3)14-20)29(35)30(36)33(27)31-32-26-18(4)12-16(2)13-24(26)40-31/h8-15,27,34H,7H2,1-6H3/b28-25+InChIKey
YSCCBJNWBAECHX-AZPGRJICSA-NSynonyms
(4E)1(46dimethyl13benzothiazol2yl)5(4ethoxy3methoxyphenyl)4(hydroxy(4methoxy3methylphenyl)methylidene)pyrrolidine23dione
CCOC1=C(C=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)OC
CCOc1ccc(cc1OC)C1C(=C(c2ccc(c(c2)C)OC)O)C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C
InChI=1SC31H30N2O6Sc17392211819(1523(22)386)2725(28(34)2091021(375)17(3)1420)29(35)30(36)33(27)31322618(4)1216(2)1324(26)4031h8152734H7H216H3b2825+
MFCD05737008
ZINC000102889601
ZINC000102889602
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