Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-1-(3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)prop-2-en-1-one
Catalog ID
STK603463
SMILES O=C(N1CCc2c(C1)c(n[nH]2)c1ccccc1)/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 C22H19N3O3 MW 373.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O3/c26-21(9-7-15-6-8-19-20(12-15)28-14-27-19)25-11-10-18-17(13-25)22(24-23-18)16-4-2-1-3-5-16/h1-9,12H,10-11,13-14H2,(H,23,24)/b9-7+InChIKey
FIYDRIWTKJTGSN-VQHVLOKHSA-NSynonyms
(2E)3(13benzodioxol5yl)1(3phenyl1467tetrahydro5Hpyrazolo(43c)pyridin5yl)prop2en1one
(E)3(13benzodioxol5yl)1(3phenyl1467tetrahydropyrazolo(43c)pyridin5yl)prop2en1one
(E)3(benzo(d)(13)dioxol5yl)1(3phenyl67dihydro2Hpyrazolo(43c)pyridin5(4H)yl)prop2en1one
C1CN(CC2=C1NN=C2C3=CC=CC=C3)C(=O)C=CC4=CC5=C(C=C4)OCO5
InChI=1SC22H19N3O3c2621(9715681920(1215)28142719)2511101817(1325)22(242318)164213516h1912H10111314H2(H2324)b97+
MFCD08735494
O=C(N1CCc2c(C1)c((nH)n2)c1ccccc1)C=Cc1ccc2c(c1)OCO2
O=C(N1CCc2c(C1)c(n(nH)2)c1ccccc1)C=Cc1ccc2c(c1)OCO2
ZINC000008743746
ZINC08743746
ZINC8743746
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