Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STL053709
SMILES CCOc1ccc2c(c1)sc(n2)N1C(c2cc(OC)c(c(c2)OC)OC)/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C1=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 C31H28N2O9S MW 604.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N2O9S/c1-5-40-18-7-8-19-24(15-18)43-31(32-19)33-26(17-13-22(37-2)29(39-4)23(14-17)38-3)25(28(35)30(33)36)27(34)16-6-9-20-21(12-16)42-11-10-41-20/h6-9,12-15,26,34H,5,10-11H2,1-4H3/b27-25+InChIKey
JVMCZBMULSOTSG-IMVLJIQESA-NSynonyms
(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6ethoxy13benzothiazol2yl)5(345trimethoxyphenyl)pyrrolidine23dione
CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC(=C(C(=C6)OC)OC)OC
CCOc1ccc2c(c1)sc(n2)N1C(c2cc(OC)c(c(c2)OC)OC)C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C1=O
InChI=1SC31H28N2O9Sc154018781924(1518)4331(3219)3326(171322(372)29(394)23(1417)383)25(28(35)30(33)36)27(34)16692021(1216)4211104120h6912152634H51011H214H3b2725+
MFCD05725990
ZINC000102893382
ZINC000102893384
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