Vitas-M small molecule compound
(4E)-5-(4-butoxy-3-ethoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK570260
SMILES CCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)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 C34H34N2O6S MW 598.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34N2O6S/c1-5-7-14-41-26-13-9-21(18-27(26)40-6-2)30-29(31(37)22-10-12-25-23(17-22)16-20(4)42-25)32(38)33(39)36(30)34-35-24-11-8-19(3)15-28(24)43-34/h8-13,15,17-18,20,30,37H,5-7,14,16H2,1-4H3/b31-29+InChIKey
ICJBSHULJCAZFF-OWWNRXNESA-NSynonyms
893700-26-0(4E)5(4butoxy3ethoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(6methyl13benzothiazol2yl)pyrrolidine23dione
893700260
CCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)C)OCC
CCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)C
InChI=1SC34H34N2O6Sc15714412613921(1827(26)4062)3029(31(37)2210122523(1722)1620(4)4225)32(38)33(39)36(30)34352411819(3)1528(24)4334h813151718203037H571416H214H3b3129+
MFCD05728622
ZINC000102561419
ZINC000102655713
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