Vitas-M small molecule compound

6-({(2E)-3-(2-fluorophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}amino)hexanoic acid

Catalog ID
STK525197
SMILES OC(=O)CCCCCNC(=O)/C(=C\c1ccccc1F)/NC(=O)c1ccccc1

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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 C22H23FN2O4 MW 398.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23FN2O4/c23-18-12-7-6-11-17(18)15-19(25-21(28)16-9-3-1-4-10-16)22(29)24-14-8-2-5-13-20(26)27/h1,3-4,6-7,9-12,15H,2,5,8,13-14H2,(H,24,29)(H,25,28)(H,26,27)/b19-15+
InChIKey
SYGVDWBYAROWSA-XDJHFCHBSA-N
Synonyms
368837-67-6
(E)6(2benzamido3(2fluorophenyl)acrylamido)hexanoicacid
368837676
6(((2E)3(2fluorophenyl)2((phenylcarbonyl)amino)prop2enoyl)amino)hexanoicacid
6(((E)2BENZAMIDO3(2FLUOROPHENYL)PROP2ENOYL)AMINO)HEXANOICACID
6((2E)3(2FLUOROPHENYL)2(PHENYLCARBONYLAMINO)PROP2ENOYLAMINO)HEXANOICACID
6(2BENZOYLAMINO3(2FLUOROPHENYL)ACRYLOYLAMINO)HEXANOICACID
C1=CC=C(C=C1)C(=O)NC(=CC2=CC=CC=C2F)C(=O)NCCCCCC(=O)O
InChI=1SC22H23FN2O4c231812761117(18)1519(2521(28)1693141016)22(29)24148251320(26)27h1346791215H2581314H2(H2429)(H2528)(H2627)b1915+
MFCD01554169
OC(=O)CCCCCNC(=O)C(=Cc1ccccc1F)NC(=O)c1ccccc1
ZINC000002257419
ZINC2257419

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.