Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STK567225
SMILES Cc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1cccc(c1)Oc1ccccc1
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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 C33H24N2O6S MW 576.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H24N2O6S/c1-19-10-12-24-27(16-19)42-33(34-24)35-29(20-6-5-9-23(17-20)41-22-7-3-2-4-8-22)28(31(37)32(35)38)30(36)21-11-13-25-26(18-21)40-15-14-39-25/h2-13,16-18,29,36H,14-15H2,1H3/b30-28+InChIKey
AHXVBZSVSUTKQN-SJCQXOIGSA-NSynonyms
(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6methyl13benzothiazol2yl)5(3phenoxyphenyl)pyrrolidine23dione
CC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC(=CC=C6)OC7=CC=CC=C7
Cc1ccc2c(c1)sc(n2)N1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C1c1cccc(c1)Oc1ccccc1
InChI=1SC33H24N2O6Sc11910122427(1619)4233(3424)3529(2065923(1720)41227324822)28(31(37)32(35)38)30(36)2111132526(1821)4015143925h21316182936H1415H21H3b3028+
MFCD05734238
ZINC000102546311
ZINC000102546319
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