Vitas-M small molecule compound

2-[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]-1-(4,6-dimethylpyrimidin-2-yl)-3-phenylguanidine

Catalog ID
STK048622
SMILES Cc1nc(N/C(=N/C=C2C(=O)CC(CC2=O)(C)C)/Nc2ccccc2)nc(c1)C

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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 C22H25N5O2 MW 391.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N5O2/c1-14-10-15(2)25-21(24-14)27-20(26-16-8-6-5-7-9-16)23-13-17-18(28)11-22(3,4)12-19(17)29/h5-10,13H,11-12H2,1-4H3,(H2,23,24,25,26,27)
InChIKey
SXWOAWODZLKHKB-UHFFFAOYSA-N
Synonyms

2((44DIMETHYL26DIOXOCYCLOHEXYLIDENE)METHYL)1(46DIMETHYLPYRIMIDIN2YL)3PHENYLGUANIDINE
CC1=CC(=NC(=N1)NC(=NC=C2C(=O)CC(CC2=O)(C)C)NC3=CC=CC=C3)C
Cc1nc(NC(=NC=C2C(=O)CC(CC2=O)(C)C)Nc2ccccc2)nc(c1)C
InChI=1SC22H25N5O2c1141015(2)2521(2414)2720(26168657916)23131718(28)1122(34)1219(17)29h51013H1112H214H3(H22324252627)
MFCD03225377
STK048622
ZINC000005895075
ZINC5895075

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Available files

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