Vitas-M small molecule compound
4-[(4-fluorophenyl)amino]-4-oxo-2-{[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl}butanoic acid
Catalog ID
STL161186
SMILES O=C(CC(C(=O)O)CN1CCN(CC1)Cc1cccnc1)Nc1ccc(cc1)F
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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 C21H25FN4O3 MW 400.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25FN4O3/c22-18-3-5-19(6-4-18)24-20(27)12-17(21(28)29)15-26-10-8-25(9-11-26)14-16-2-1-7-23-13-16/h1-7,13,17H,8-12,14-15H2,(H,24,27)(H,28,29)InChIKey
DCIQWPATEKFZHD-UHFFFAOYSA-NSynonyms
1324073-87-11324073871
4((4fluorophenyl)amino)4oxo2((4(pyridin3ylmethyl)piperazin1yl)methyl)butanoicacid
4(4fluoroanilino)4oxo2((4(pyridin3ylmethyl)piperazin1yl)methyl)butanoicacid
C1CN(CCN1CC2=CN=CC=C2)CC(CC(=O)NC3=CC=C(C=C3)F)C(=O)O
InChI=1SC21H25FN4O3c22183519(6418)2420(27)1217(21(28)29)152610825(91126)1416217231316h171317H8121415H2(H2427)(H2829)
MFCD19708888
ZINC000071280341
ZINC000071280342
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