Vitas-M small molecule compound
3-({2-bromo-4-[(1Z)-2-cyano-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-1-yl]-6-ethoxyphenoxy}methyl)benzoic acid
Catalog ID
STK183165
SMILES CCOc1cc(/C=C(\C(=O)NCCc2c[nH]c3c2cccc3)/C#N)cc(c1OCc1cccc(c1)C(=O)O)Br
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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 C30H26BrN3O5 MW 588.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26BrN3O5/c1-2-38-27-15-20(14-25(31)28(27)39-18-19-6-5-7-21(12-19)30(36)37)13-23(16-32)29(35)33-11-10-22-17-34-26-9-4-3-8-24(22)26/h3-9,12-15,17,34H,2,10-11,18H2,1H3,(H,33,35)(H,36,37)/b23-13-InChIKey
YIMSOAPBPNDHFF-QRVIBDJDSA-NSynonyms
3((2BROMO4((1Z)2CYANO3((2(1HINDOL3YL)ETHYL)AMINO)3OXOPROP1EN1YL)6ETHOXYPHENOXY)METHYL)BENZOICACID
3((2BROMO4((Z)2CYANO3(2(1HINDOL3YL)ETHYLAMINO)3OXOPROP1ENYL)6ETHOXYPHENOXY)METHYL)BENZOICACID
CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NCCC2=CNC3=CC=CC=C32)Br)OCC4=CC=CC(=C4)C(=O)O
CCOc1cc(C=C(C(=O)NCCc2c(nH)c3c2cccc3)C#N)cc(c1OCc1cccc(c1)C(=O)O)Br
InChI=1SC30H26BrN3O5c1238271520(1425(31)28(27)39181965721(1219)30(36)37)1323(1632)29(35)33111022173426943824(22)26h3912151734H2101118H21H3(H3335)(H3637)b2313
MFCD04563389
ZINC000097960745
ZINC97960745
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