Vitas-M small molecule compound

(4-chloro-1-ethyl-1H-pyrazol-3-yl)[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone

Catalog ID
STL399471
SMILES CCn1nc(c(c1)Cl)C(=O)N1N=C(CC1c1ccccc1O)c1ccc2c(c1)OCCO2

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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 C23H21ClN4O4 MW 452.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN4O4/c1-2-27-13-16(24)22(26-27)23(30)28-18(15-5-3-4-6-19(15)29)12-17(25-28)14-7-8-20-21(11-14)32-10-9-31-20/h3-8,11,13,18,29H,2,9-10,12H2,1H3
InChIKey
KQXCQRZJIHOAHK-UHFFFAOYSA-N
Synonyms
512817-35-5
(4CHLORO1ETHYL1HPYRAZOL3YL)(3(23DIHYDRO14BENZODIOXIN6YL)5(2HYDROXYPHENYL)45DIHYDRO1HPYRAZOL1YL)METHANONE
(4CHLORO1ETHYLPYRAZOL3YL)(5(23DIHYDRO14BENZODIOXIN6YL)3(2HYDROXYPHENYL)34DIHYDROPYRAZOL2YL)METHANONE
2(1((4CHLORO1ETHYL1HPYRAZOL3YL)CARBONYL)3(23DIHYDRO14BENZODIOXIN6YL)45DIHYDRO1HPYRAZOL5YL)PHENOL
512817355
CCN1C=C(C(=N1)C(=O)N2C(CC(=N2)C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5O)Cl
InChI=1SC23H21ClN4O4c12271316(24)22(2627)23(30)2818(15534619(15)29)1217(2528)14782021(1114)321093120h3811131829H291012H21H3
MFCD03467997
ZINC000000654042
ZINC000000654045

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Available files

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