Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]prop-2-en-1-one
Catalog ID
STK614604
SMILES Fc1ccc(cc1)c1n[nH]c2c1CN(CC2)C(=O)/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 C22H18FN3O3 MW 391.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18FN3O3/c23-16-5-3-15(4-6-16)22-17-12-26(10-9-18(17)24-25-22)21(27)8-2-14-1-7-19-20(11-14)29-13-28-19/h1-8,11H,9-10,12-13H2,(H,24,25)/b8-2+InChIKey
YEQRQMXMJGPNAZ-KRXBUXKQSA-NSynonyms
(2E)3(13benzodioxol5yl)1(3(4fluorophenyl)1467tetrahydro5Hpyrazolo(43c)pyridin5yl)prop2en1one
(E)3(13benzodioxol5yl)1(3(4fluorophenyl)1467tetrahydropyrazolo(43c)pyridin5yl)prop2en1one
(E)3(benzo(d)(13)dioxol5yl)1(3(4fluorophenyl)67dihydro2Hpyrazolo(43c)pyridin5(4H)yl)prop2en1one
C1CN(CC2=C1NN=C2C3=CC=C(C=C3)F)C(=O)C=CC4=CC5=C(C=C4)OCO5
Fc1ccc(cc1)c1(nH)nc2c1CN(CC2)C(=O)C=Cc1ccc2c(c1)OCO2
Fc1ccc(cc1)c1n(nH)c2c1CN(CC2)C(=O)C=Cc1ccc2c(c1)OCO2
InChI=1SC22H18FN3O3c23165315(4616)22171226(10918(17)242522)21(27)8214171920(1114)29132819h1811H9101213H2(H2425)b82+
MFCD08730016
ZINC000008996501
ZINC08996501
ZINC8996501
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