Vitas-M small molecule compound
4-({2-bromo-4-[(1Z)-2-cyano-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-1-yl]-6-methoxyphenoxy}methyl)benzoic acid
Catalog ID
STK183163
SMILES N#C/C(=C/c1cc(Br)c(c(c1)OC)OCc1ccc(cc1)C(=O)O)/C(=O)NCCc1c[nH]c2c1cccc2
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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 C29H24BrN3O5 MW 574.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24BrN3O5/c1-37-26-14-19(13-24(30)27(26)38-17-18-6-8-20(9-7-18)29(35)36)12-22(15-31)28(34)32-11-10-21-16-33-25-5-3-2-4-23(21)25/h2-9,12-14,16,33H,10-11,17H2,1H3,(H,32,34)(H,35,36)/b22-12-InChIKey
BEOKPPRQZHRXPC-UUYOSTAYSA-NSynonyms
4((2BROMO4((1Z)2CYANO3((2(1HINDOL3YL)ETHYL)AMINO)3OXOPROP1EN1YL)6METHOXYPHENOXY)METHYL)BENZOICACID
4((2bromo4((Z)2cyano3(2(1Hindol3yl)ethylamino)3oxoprop1enyl)6methoxyphenoxy)methyl)benzoicacid
COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NCCC2=CNC3=CC=CC=C32)Br)OCC4=CC=C(C=C4)C(=O)O
InChI=1SC29H24BrN3O5c137261419(1324(30)27(26)3817186820(9718)29(35)36)1222(1531)28(34)32111021163325532423(21)25h2912141633H101117H21H3(H3234)(H3536)b2212
MFCD03729340
N#CC(=Cc1cc(Br)c(c(c1)OC)OCc1ccc(cc1)C(=O)O)C(=O)NCCc1c(nH)c2c1cccc2
ZINC000097960743
ZINC97960743
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