Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-N-(5-oxo-7-phenyl-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)prop-2-enamide
Catalog ID
STL053333
SMILES O=C(Nc1nn2c(=NC(=O)CC2c2ccccc2)[nH]1)/C=C/c1ccc2c(c1)OCO2
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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 C21H17N5O4 MW 403.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O4/c27-18(9-7-13-6-8-16-17(10-13)30-12-29-16)22-20-24-21-23-19(28)11-15(26(21)25-20)14-4-2-1-3-5-14/h1-10,15H,11-12H2,(H2,22,23,24,25,27,28)/b9-7+InChIKey
IUODLWSNLYCNSE-VQHVLOKHSA-NSynonyms
714256-70-9(2E)3(13benzodioxol5yl)N(5oxo7phenyl3567tetrahydro(124)triazolo(15a)pyrimidin2yl)prop2enamide
(E)3(13BENZODIOXOL5YL)N(5OXO7PHENYL67DIHYDRO1H(124)TRIAZOLO(15A)PYRIMIDIN2YL)PROP2ENAMIDE
714256709
C1C(N2C(=NC1=O)N=C(N2)NC(=O)C=CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5
InChI=1SC21H17N5O4c2718(9713681617(1013)30122916)222024212319(28)1115(26(21)2520)144213514h11015H1112H2(H2222324252728)b97+
MFCD05732173
O=C(Nc1nn2c(=NC(=O)CC2c2ccccc2)(nH)1)C=Cc1ccc2c(c1)OCO2
ZINC000002430405
ZINC000002430409
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