Vitas-M small molecule compound
(2E)-N-(5,7-diphenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-(3-nitrophenyl)prop-2-enamide
Catalog ID
STK046397
SMILES O=C(Nc1nc2n(n1)C(C=C(N2)c1ccccc1)c1ccccc1)/C=C/c1cccc(c1)[N+](=O)[O-]
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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 C26H20N6O3 MW 464.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N6O3/c33-24(15-14-18-8-7-13-21(16-18)32(34)35)28-25-29-26-27-22(19-9-3-1-4-10-19)17-23(31(26)30-25)20-11-5-2-6-12-20/h1-17,23H,(H2,27,28,29,30,33)/b15-14+InChIKey
PBIORJXJEQIECQ-CCEZHUSRSA-NSynonyms
497941-17-0(2E)N(57DIPHENYL47DIHYDRO(124)TRIAZOLO(15A)PYRIMIDIN2YL)3(3NITROPHENYL)PROP2ENAMIDE
(E)N(57DIPHENYL17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDIN2YL)3(3NITROPHENYL)PROP2ENAMIDE
(E)N(57diphenyl47dihydro(124)triazolo(15a)pyrimidin2yl)3(3nitrophenyl)acrylamide
497941170
C1=CC=C(C=C1)C2C=C(N=C3N2NC(=N3)NC(=O)C=CC4=CC(=CC=C4)(N+)(=O)(O))C5=CC=CC=C5
InChI=1SC26H20N6O3c3324(151418871321(1618)32(34)35)282529262722(1993141019)1723(31(26)3025)20115261220h11723H(H22728293033)b1514+
MFCD03301271
O=C(Nc1nc2n(n1)C(C=C(N2)c1ccccc1)c1ccccc1)C=Cc1cccc(c1)(N+)(=O)(O)
STK046397
ZINC000100890063
ZINC000100890066
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