Vitas-M small molecule compound

methyl N-{[3-(pentafluorophenoxy)phenyl]carbamoyl}-L-tryptophanate

Catalog ID
STK541980
SMILES COC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)Nc1cccc(c1)Oc1c(F)c(F)c(c(c1F)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 C25H18F5N3O4 MW 519.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18F5N3O4/c1-36-24(34)17(9-12-11-31-16-8-3-2-7-15(12)16)33-25(35)32-13-5-4-6-14(10-13)37-23-21(29)19(27)18(26)20(28)22(23)30/h2-8,10-11,17,31H,9H2,1H3,(H2,32,33,35)/t17-/m0/s1
InChIKey
QNRUSMLNXLMKJQ-KRWDZBQOSA-N
Synonyms
957046-37-6
(S)methyl3(1Hindol3yl)2(3(3(perfluorophenoxy)phenyl)ureido)propanoate
957046376
COC(=O)(C@H)(Cc1c(nH)c2c1cccc2)NC(=O)Nc1cccc(c1)Oc1c(F)c(F)c(c(c1F)F)F
COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)NC3=CC(=CC=C3)OC4=C(C(=C(C(=C4F)F)F)F)F
InChI=1SC25H18F5N3O4c13624(34)17(912113116832715(12)16)3325(35)321354614(1013)372321(29)19(27)18(26)20(28)22(23)30h2810111731H9H21H3(H2323335)t17m0s1
methyl(2S)3(1Hindol3yl)2((3(23456pentafluorophenoxy)phenyl)carbamoylamino)propanoate
methylN((3(pentafluorophenoxy)phenyl)carbamoyl)Ltryptophanate
MFCD18241950
ZINC000002320605
ZINC2320605

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Available files

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