Vitas-M small molecule compound

5-[(phenylamino)methyl]-2-[(2E)-3-phenylprop-2-en-1-yl]-1,2-dihydro-3H-1,2,4-triazol-3-one

Catalog ID
STK938916
SMILES O=c1nc([nH]n1C/C=C/c1ccccc1)CNc1ccccc1

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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 C18H18N4O MW 306.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O/c23-18-20-17(14-19-16-11-5-2-6-12-16)21-22(18)13-7-10-15-8-3-1-4-9-15/h1-12,19H,13-14H2,(H,20,21,23)/b10-7+
InChIKey
DXEUIMZNNSZSTA-JXMROGBWSA-N
Synonyms
1219590-23-4
1219590234
2cinnamyl5((phenylamino)methyl)1H124triazol3(2H)one
5((phenylamino)methyl)2((2E)3phenylprop2en1yl)12dihydro3H124triazol3one
5(anilinomethyl)2((E)3phenylprop2enyl)1H124triazol3one
C1=CC=C(C=C1)C=CCN2C(=O)N=C(N2)CNC3=CC=CC=C3
InChI=1SC18H18N4Oc23182017(141916115261216)2122(18)13710158314915h11219H1314H2(H202123)b107+
MFCD16627713
O=c1nc((nH)n1CC=Cc1ccccc1)CNc1ccccc1
ZINC000040288300
ZINC40288300

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Available files

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