Vitas-M small molecule compound
(2E)-4-{[4-(azepan-1-ylcarbonyl)phenyl]amino}-4-oxobut-2-enoic acid
Catalog ID
STL069348
SMILES OC(=O)/C=C/C(=O)Nc1ccc(cc1)C(=O)N1CCCCCC1
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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 C17H20N2O4 MW 316.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N2O4/c20-15(9-10-16(21)22)18-14-7-5-13(6-8-14)17(23)19-11-3-1-2-4-12-19/h5-10H,1-4,11-12H2,(H,18,20)(H,21,22)/b10-9+InChIKey
ZQASUYBCPMLKLP-MDZDMXLPSA-NSynonyms
940472-66-2(2E)3((4(AZEPANE1CARBONYL)PHENYL)CARBAMOYL)PROP2ENOICACID
(2E)3(N(4(AZAPERHYDROEPINYLCARBONYL)PHENYL)CARBAMOYL)PROP2ENOICACID
(2E)4((4(azepan1ylcarbonyl)phenyl)amino)4oxobut2enoicacid
(E)4(4(1AZEPANYLCARBONYL)ANILINO)4OXO2BUTENOICACID
(E)4(4(azepane1carbonyl)anilino)4oxobut2enoicacid
4((4(1AZEPANYLCARBONYL)PHENYL)AMINO)4OXO2BUTENOICACID
940472662
C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C=CC(=O)O
InChI=1SC17H20N2O4c2015(91016(21)22)18147513(6814)17(23)191131241219h510H141112H2(H1820)(H2122)b109+
MFCD09439310
OC(=O)C=CC(=O)Nc1ccc(cc1)C(=O)N1CCCCCC1
ZINC000012138856
ZINC12138856
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