Vitas-M small molecule compound
(2E)-N-[7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(3-nitrophenyl)prop-2-enamide
Catalog ID
STK573272
SMILES COc1ccc(cc1)C1C=C(N=c2n1nc([nH]2)NC(=O)/C=C/c1cccc(c1)[N+](=O)[O-])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 C27H22N6O4 MW 494.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N6O4/c1-37-22-13-11-20(12-14-22)24-17-23(19-7-3-2-4-8-19)28-27-30-26(31-32(24)27)29-25(34)15-10-18-6-5-9-21(16-18)33(35)36/h2-17,24H,1H3,(H2,28,29,30,31,34)/b15-10+InChIKey
BJOANDBKICRTSZ-XNTDXEJSSA-NSynonyms
835908-71-9(2E)N(7(4methoxyphenyl)5phenyl37dihydro(124)triazolo(15a)pyrimidin2yl)3(3nitrophenyl)prop2enamide
(E)N(7(4METHOXYPHENYL)5PHENYL17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDIN2YL)3(3NITROPHENYL)PROP2ENAMIDE
835908719
COC1=CC=C(C=C1)C2C=C(N=C3N2NC(=N3)NC(=O)C=CC4=CC(=CC=C4)(N+)(=O)(O))C5=CC=CC=C5
COc1ccc(cc1)C1C=C(N=c2n1nc((nH)2)NC(=O)C=Cc1cccc(c1)(N+)(=O)(O))c1ccccc1
InChI=1SC27H22N6O4c13722131120(121422)241723(197324819)28273026(3132(24)27)2925(34)15101865921(1618)33(35)36h21724H1H3(H22829303134)b1510+
MFCD07200799
ZINC000101004876
ZINC000101004877
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