Vitas-M small molecule compound
(4E)-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy(3-methoxyphenyl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK602967
SMILES COc1cccc(c1)/C(=C\1/C(c2ccc(c(c2)OC)O)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 C27H22N2O6S MW 502.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O6S/c1-14-7-9-18-21(11-14)36-27(28-18)29-23(15-8-10-19(30)20(13-15)35-3)22(25(32)26(29)33)24(31)16-5-4-6-17(12-16)34-2/h4-13,23,30-31H,1-3H3/b24-22+InChIKey
WOMSZRDLVHQVBU-ZNTNEXAZSA-NSynonyms
607686-37-3(4E)5(4hydroxy3methoxyphenyl)4(hydroxy(3methoxyphenyl)methylidene)1(6methyl13benzothiazol2yl)pyrrolidine23dione
607686373
CC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC(=CC=C4)OC)O)C(=O)C3=O)C5=CC(=C(C=C5)O)OC
COc1cccc(c1)C(=C1C(c2ccc(c(c2)OC)O)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)C)O
InChI=1SC27H22N2O6Sc114791821(1114)3627(2818)2923(1581019(30)20(1315)353)22(25(32)26(29)33)24(31)1654617(1216)342h413233031H13H3b2422+
MFCD08736241
ZINC000102694867
ZINC000102694870
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