Vitas-M small molecule compound

3-({3-[(E)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-1H-indol-1-yl}methyl)benzoic acid

Catalog ID
STK206350
SMILES O=C1N/C(=C/c2cn(c3c2cccc3)Cc2cccc(c2)C(=O)O)/C(=O)N1C

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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 C21H17N3O4 MW 375.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O4/c1-23-19(25)17(22-21(23)28)10-15-12-24(18-8-3-2-7-16(15)18)11-13-5-4-6-14(9-13)20(26)27/h2-10,12H,11H2,1H3,(H,22,28)(H,26,27)/b17-10+
InChIKey
MNBPKQSMIOUEEZ-LICLKQGHSA-N
Synonyms

3((3((E)(1METHYL25DIOXOIMIDAZOLIDIN4YLIDENE)METHYL)1HINDOL1YL)METHYL)BENZOICACID
3((3((E)(1METHYL25DIOXOIMIDAZOLIDIN4YLIDENE)METHYL)INDOL1YL)METHYL)BENZOICACID
CN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=CC(=C4)C(=O)O)NC1=O
InChI=1SC21H17N3O4c12319(25)17(2221(23)28)10151224(18832716(15)18)111354614(913)20(26)27h21012H11H21H3(H2228)(H2627)b1710+
MFCD06666864
O=C1NC(=Cc2cn(c3c2cccc3)Cc2cccc(c2)C(=O)O)C(=O)N1C
ZINC000004741128
ZINC4741128

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Available files

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