Vitas-M small molecule compound
2-({(2E)-2-cyano-3-[1-(naphthalen-1-ylmethyl)-1H-indol-3-yl]prop-2-enoyl}amino)benzoic acid
Catalog ID
STK093750
SMILES N#C/C(=C\c1cn(c2c1cccc2)Cc1cccc2c1cccc2)/C(=O)Nc1ccccc1C(=O)O
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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 C30H21N3O3 MW 471.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H21N3O3/c31-17-22(29(34)32-27-14-5-3-13-26(27)30(35)36)16-23-19-33(28-15-6-4-12-25(23)28)18-21-10-7-9-20-8-1-2-11-24(20)21/h1-16,19H,18H2,(H,32,34)(H,35,36)/b22-16+InChIKey
XDFRZTOFMWVIAO-CJLVFECKSA-NSynonyms
364624-26-02(((2E)2CYANO3(1(NAPHTHALEN1YLMETHYL)1HINDOL3YL)PROP2ENOYL)AMINO)BENZOICACID
2(((E)2CYANO3(1(NAPHTHALEN1YLMETHYL)INDOL3YL)PROP2ENOYL)AMINO)BENZOICACID
364624260
C1=CC=C2C(=C1)C=CC=C2CN3C=C(C4=CC=CC=C43)C=C(C#N)C(=O)NC5=CC=CC=C5C(=O)O
InChI=1SC30H21N3O3c311722(29(34)322714531326(27)30(35)36)16231933(2815641225(23)28)18211079208121124(20)21h11619H18H2(H3234)(H3536)b2216+
MFCD02374043
N#CC(=Cc1cn(c2c1cccc2)Cc1cccc2c1cccc2)C(=O)Nc1ccccc1C(=O)O
STK093750
ZINC000002775483
ZINC2775483
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