Vitas-M small molecule compound

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

Catalog ID
STK575446
SMILES O=C(Nc1[nH]c2=NC(=CC(n2n1)c1ccc(cc1)Cl)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 C26H19ClN6O3 MW 498.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19ClN6O3/c27-20-12-10-19(11-13-20)23-16-22(18-6-2-1-3-7-18)28-26-30-25(31-32(23)26)29-24(34)14-9-17-5-4-8-21(15-17)33(35)36/h1-16,23H,(H2,28,29,30,31,34)/b14-9+
InChIKey
AIHCKNJVFMRKQY-NTEUORMPSA-N
Synonyms
839703-94-5
(2E)N(7(4chlorophenyl)5phenyl37dihydro(124)triazolo(15a)pyrimidin2yl)3(3nitrophenyl)prop2enamide
(E)N(7(4CHLOROPHENYL)5PHENYL17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDIN2YL)3(3NITROPHENYL)PROP2ENAMIDE
839703945
C1=CC=C(C=C1)C2=CC(N3C(=N2)N=C(N3)NC(=O)C=CC4=CC(=CC=C4)(N+)(=O)(O))C5=CC=C(C=C5)Cl
InChI=1SC26H19ClN6O3c2720121019(111320)231622(186213718)28263025(3132(23)26)2924(34)1491754821(1517)33(35)36h11623H(H22829303134)b149+
MFCD07203207
O=C(Nc1(nH)c2=NC(=CC(n2n1)c1ccc(cc1)Cl)c1ccccc1)C=Cc1cccc(c1)(N+)(=O)(O)
ZINC000101020483
ZINC000101020486

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Available files

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