Vitas-M small molecule compound

1-{5-[(4-methylbenzyl)amino]-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl}ethanone

Catalog ID
STK222332
SMILES Cc1ccc(cc1)CNc1nc(nn1C(=O)C)c1cccnc1

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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 C17H17N5O MW 307.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N5O/c1-12-5-7-14(8-6-12)10-19-17-20-16(21-22(17)13(2)23)15-4-3-9-18-11-15/h3-9,11H,10H2,1-2H3,(H,19,20,21)
InChIKey
VTXNPZXVLXVDRU-UHFFFAOYSA-N
Synonyms

1(5((4METHYLBENZYL)AMINO)3(PYRIDIN3YL)1H124TRIAZOL1YL)ETHANONE
1(5((4METHYLPHENYL)METHYLAMINO)3PYRIDIN3YL124TRIAZOL1YL)ETHANONE
1(5(4METHYLBENZYLAMINO)3PYRIDIN3YL(124)TRIAZOL1YL)ETHANONE
CC1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C)C3=CN=CC=C3
InChI=1SC17H17N5Oc1125714(8612)1019172016(2122(17)13(2)23)15439181115h3911H10H212H3(H192021)
MFCD07792116
ZINC000004816444
ZINC04816444
ZINC4816444

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.