Vitas-M small molecule compound
3-(azepan-1-yl)-4-[(4-chlorophenyl)amino]-4-oxobutanoic acid
Catalog ID
STL195350
SMILES O=C(C(N1CCCCCC1)CC(=O)O)Nc1ccc(cc1)Cl
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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 C16H21ClN2O3 MW 324.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21ClN2O3/c17-12-5-7-13(8-6-12)18-16(22)14(11-15(20)21)19-9-3-1-2-4-10-19/h5-8,14H,1-4,9-11H2,(H,18,22)(H,20,21)InChIKey
VWXKCNXFPMJERX-UHFFFAOYSA-NSynonyms
876894-33-63(azepan1yl)4((4chlorophenyl)amino)4oxobutanoicacid
3(AZEPAN1YL)4(4CHLOROANILINO)4OXOBUTANOICACID
3AZEPAN1YLN(4CHLOROPHENYL)SUCCINAMICACID
876894336
C1CCCN(CC1)C(CC(=O)O)C(=O)NC2=CC=C(C=C2)Cl
InChI=1SC16H21ClN2O3c17125713(8612)1816(22)14(1115(20)21)19931241019h5814H14911H2(H1822)(H2021)
MFCD07188167
ZINC000004487227
ZINC000004487228
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