Vitas-M small molecule compound

(2Z)-4-[(2,5-dimethoxyphenyl)amino]-4-oxobut-2-enoic acid

Catalog ID
STK045778
SMILES COc1ccc(cc1NC(=O)/C=C\C(=O)O)OC

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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 C12H13NO5 MW 251.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13NO5/c1-17-8-3-4-10(18-2)9(7-8)13-11(14)5-6-12(15)16/h3-7H,1-2H3,(H,13,14)(H,15,16)/b6-5-
InChIKey
LCOSAGWQXISENW-WAYWQWQTSA-N
Synonyms
71603-05-9
(2Z)3(N(25DIMETHOXYPHENYL)CARBAMOYL)PROP2ENOICACID
(2Z)4((25DIMETHOXYPHENYL)AMINO)4OXOBUT2ENOICACID
(Z)4(25DIMETHOXYANILINO)4OXOBUT2ENOICACID
71603059
COC1=CC(=C(C=C1)OC)NC(=O)C=CC(=O)O
COc1ccc(cc1NC(=O)C=CC(=O)O)OC
InChI=1SC12H13NO5c11783410(182)9(78)1311(14)5612(15)16h37H12H3(H1314)(H1516)b65
MFCD00134739
STK045778
ZINC000005009674
ZINC5009674

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Available files

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