Vitas-M small molecule compound

4-[(3E)-3-[hydroxy(4-methylphenyl)methylidene]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]butanoic acid

Catalog ID
STK623150
SMILES COc1ccc(cc1)C1/C(=C(/c2ccc(cc2)C)\O)/C(=O)C(=O)N1CCCC(=O)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 C23H23NO6 MW 409.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO6/c1-14-5-7-16(8-6-14)21(27)19-20(15-9-11-17(30-2)12-10-15)24(23(29)22(19)28)13-3-4-18(25)26/h5-12,20,27H,3-4,13H2,1-2H3,(H,25,26)/b21-19+
InChIKey
LPQPSFXYPNQYAN-XUTLUUPISA-N
Synonyms
6038-68-2
4((3E)3(hydroxy(4methylphenyl)methylidene)2(4methoxyphenyl)45dioxopyrrolidin1yl)butanoicacid
4(3HYDROXY5(4METHOXYPHENYL)4(4METHYLBENZOYL)2OXO25DIHYDRO1HPYRROL1YL)BUTANOICACID
6038682
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCC(=O)O)C3=CC=C(C=C3)OC)O
COc1ccc(cc1)C1C(=C(c2ccc(cc2)C)O)C(=O)C(=O)N1CCCC(=O)O
InChI=1SC23H23NO6c1145716(8614)21(27)1920(1591117(302)121015)24(23(29)22(19)28)133418(25)26h5122027H3413H212H3(H2526)b2119+
MFCD03814201
ZINC000102723788
ZINC000102723790

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Available files

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