Vitas-M small molecule compound
(4E)-4-[hydroxy(3-methoxyphenyl)methylidene]-5-(2-methoxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK619637
SMILES COc1cccc(c1)/C(=C\1/C(c2ccccc2OC)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)C)/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 C27H22N2O5S MW 486.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O5S/c1-15-11-12-19-21(13-15)35-27(28-19)29-23(18-9-4-5-10-20(18)34-3)22(25(31)26(29)32)24(30)16-7-6-8-17(14-16)33-2/h4-14,23,30H,1-3H3/b24-22+InChIKey
XKAQXWHYIJBKKF-ZNTNEXAZSA-NSynonyms
618417-10-0(4E)4(hydroxy(3methoxyphenyl)methylidene)5(2methoxyphenyl)1(6methyl13benzothiazol2yl)pyrrolidine23dione
618417100
CC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC(=CC=C4)OC)O)C(=O)C3=O)C5=CC=CC=C5OC
COc1cccc(c1)C(=C1C(c2ccccc2OC)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)C)O
InChI=1SC27H22N2O5Sc11511121921(1315)3527(2819)2923(189451020(18)343)22(25(31)26(29)32)24(30)1676817(1416)332h4142330H13H3b2422+
MFCD09793103
ZINC000102718856
ZINC000102718859
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