Vitas-M small molecule compound
4-[(3-methoxyphenyl)amino]-4-oxo-2-({4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl}methyl)butanoic acid
Catalog ID
STL249067
SMILES COc1cccc(c1)NC(=O)CC(C(=O)O)CN1CCCN(CC1)c1ccc(cn1)C(F)(F)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 C23H27F3N4O4 MW 480.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27F3N4O4/c1-34-19-5-2-4-18(13-19)28-21(31)12-16(22(32)33)15-29-8-3-9-30(11-10-29)20-7-6-17(14-27-20)23(24,25)26/h2,4-7,13-14,16H,3,8-12,15H2,1H3,(H,28,31)(H,32,33)InChIKey
IDXPTEMPILRVBP-UHFFFAOYSA-NSynonyms
1324072-12-91324072129
4((3methoxyphenyl)amino)4oxo2((4(5(trifluoromethyl)pyridin2yl)14diazepan1yl)methyl)butanoicacid
4(3methoxyanilino)4oxo2((4(5(trifluoromethyl)pyridin2yl)14diazepan1yl)methyl)butanoicacid
COC1=CC=CC(=C1)NC(=O)CC(CN2CCCN(CC2)C3=NC=C(C=C3)C(F)(F)F)C(=O)O
InChI=1SC23H27F3N4O4c1341952418(1319)2821(31)1216(22(32)33)152983930(111029)207617(142720)23(2425)26h247131416H381215H21H3(H2831)(H3233)
MFCD19710735
ZINC000071283983
ZINC000071283984
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