Vitas-M small molecule compound
(2E)-4-{[4-chloro-3-(methoxycarbonyl)phenyl]amino}-4-oxobut-2-enoic acid
Catalog ID
STK205672
SMILES COC(=O)c1cc(ccc1Cl)NC(=O)/C=C/C(=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 C12H10ClNO5 MW 283.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10ClNO5/c1-19-12(18)8-6-7(2-3-9(8)13)14-10(15)4-5-11(16)17/h2-6H,1H3,(H,14,15)(H,16,17)/b5-4+InChIKey
YODZUOSTBKQKDX-SNAWJCMRSA-NSynonyms
878961-63-8(2E)4((4CHLORO3(METHOXYCARBONYL)PHENYL)AMINO)4OXOBUT2ENOICACID
(E)4(4CHLORO3METHOXYCARBONYLANILINO)4OXOBUT2ENOICACID
878961638
COC(=O)C1=C(C=CC(=C1)NC(=O)C=CC(=O)O)Cl
COC(=O)c1cc(ccc1Cl)NC(=O)C=CC(=O)O
InChI=1SC12H10ClNO5c11912(18)867(239(8)13)1410(15)4511(16)17h26H1H3(H1415)(H1617)b54+
MFCD04321623
ZINC000004740875
ZINC4740875
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