Vitas-M small molecule compound
(2Z)-1-[4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-2-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)ethanone
Catalog ID
STK595881
SMILES O=C(c1ccc(cc1)n1nc(c(c1C)Cl)C)/C=C/1\NCCc2c1cc1OCOc1c2
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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 C23H20ClN3O3 MW 421.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20ClN3O3/c1-13-23(24)14(2)27(26-13)17-5-3-15(4-6-17)20(28)11-19-18-10-22-21(29-12-30-22)9-16(18)7-8-25-19/h3-6,9-11,25H,7-8,12H2,1-2H3/b19-11-InChIKey
SCRUVCZLGCUIEL-ODLFYWEKSA-NSynonyms
1010867-73-8(2Z)1(4(4chloro35dimethyl1Hpyrazol1yl)phenyl)2(78dihydro(13)dioxolo(45g)isoquinolin5(6H)ylidene)ethanone
(2Z)1(4(4chloro35dimethylpyrazol1yl)phenyl)2(78dihydro6H(13)dioxolo(45g)isoquinolin5ylidene)ethanone
(Z)1(4(4chloro35dimethyl1Hpyrazol1yl)phenyl)2(78dihydro(13)dioxolo(45g)isoquinolin5(6H)ylidene)ethanone
1010867738
CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)C=C3C4=CC5=C(C=C4CCN3)OCO5)C)Cl
InChI=1SC23H20ClN3O3c11323(24)14(2)27(2613)175315(4617)20(28)111918102221(29123022)916(18)782519h3691125H7812H212H3b1911
MFCD07640239
O=C(c1ccc(cc1)n1nc(c(c1C)Cl)C)C=C1NCCc2c1cc1OCOc1c2
ZINC000009129473
ZINC09129473
ZINC9129473
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