Vitas-M small molecule compound

6-[(2Z)-2-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)acetyl]-2-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5-dihydropyridazin-3(2H)-one

Catalog ID
STK608006
SMILES O=C1CCC(=NN1C1CCS(=O)(=O)C1)C(=O)/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 C20H21N3O6S MW 431.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O6S/c24-17(15-1-2-20(25)23(22-15)13-4-6-30(26,27)10-13)9-16-14-8-19-18(28-11-29-19)7-12(14)3-5-21-16/h7-9,13,21H,1-6,10-11H2/b16-9-
InChIKey
UJRJFIJFGQZSKX-SXGWCWSVSA-N
Synonyms
903188-99-8
(Z)6(2(78dihydro(13)dioxolo(45g)isoquinolin5(6H)ylidene)acetyl)2(11dioxidotetrahydrothiophen3yl)45dihydropyridazin3(2H)one
6((2Z)2(78dihydro(13)dioxolo(45g)isoquinolin5(6H)ylidene)acetyl)2(11dioxidotetrahydrothiophen3yl)45dihydropyridazin3(2H)one
6((2Z)2(78dihydro6H(13)dioxolo(45g)isoquinolin5ylidene)acetyl)2(11dioxothiolan3yl)45dihydropyridazin3one
903188998
C1CS(=O)(=O)CC1N2C(=O)CCC(=N2)C(=O)C=C3C4=CC5=C(C=C4CCN3)OCO5
InChI=1SC20H21N3O6Sc2417(151220(25)23(2215)134630(2627)1013)9161481918(28112919)712(14)352116h791321H161011H2b169
MFCD08286902
O=C1CCC(=NN1C1CCS(=O)(=O)C1)C(=O)C=C1NCCc2c1cc1OCOc1c2
ZINC000101407574
ZINC000101407575

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Available files

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