Vitas-M small molecule compound

(2E)-N-[5-(4-chlorophenyl)-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-phenylprop-2-enamide

Catalog ID
STK022006
SMILES O=C(Nc1nn2c(n1)NC(=CC2c1ccccc1)c1ccc(cc1)Cl)/C=C/c1ccccc1

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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 C26H20ClN5O MW 453.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20ClN5O/c27-21-14-12-19(13-15-21)22-17-23(20-9-5-2-6-10-20)32-26(28-22)30-25(31-32)29-24(33)16-11-18-7-3-1-4-8-18/h1-17,23H,(H2,28,29,30,31,33)/b16-11+
InChIKey
NYMSLWJCSHICDW-LFIBNONCSA-N
Synonyms
488812-42-6
(2E)N(5(4CHLOROPHENYL)7PHENYL37DIHYDRO(124)TRIAZOLO(15A)PYRIMIDIN2YL)3PHENYLPROP2ENAMIDE
(2E)N(5(4CHLOROPHENYL)7PHENYL47DIHYDRO(124)TRIAZOLO(15A)PYRIMIDIN2YL)3PHENYLPROP2ENAMIDE
(E)N(5(4CHLOROPHENYL)7PHENYL17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDIN2YL)3PHENYLPROP2ENAMIDE
C1=CC=C(C=C1)C=CC(=O)NC2=NC3=NC(=CC(N3N2)C4=CC=CC=C4)C5=CC=C(C=C5)Cl
InChI=1SC26H20ClN5Oc2721141219(131521)221723(2095261020)3226(2822)3025(3132)2924(33)1611187314818h11723H(H22829303133)b1611+
MFCD03293583
N(5(4chlorophenyl)7phenyl47dihydro(124)triazolo(15a)pyrimidin2yl)cinnamamide
O=C(Nc1nn2c(n1)NC(=CC2c1ccccc1)c1ccc(cc1)Cl)C=Cc1ccccc1
STK022006
ZINC000002359879
ZINC000002359883

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Available files

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