Vitas-M small molecule compound
2-(3-methylphenyl)-6-[(2Z)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)acetyl]-4,5-dihydropyridazin-3(2H)-one
Catalog ID
STK612259
SMILES Cc1cccc(c1)N1N=C(CCC1=O)C(=O)/C=C/1\NCCc2c1cc1OCCCOc1c2
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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 C25H25N3O4 MW 431.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O4/c1-16-4-2-5-18(12-16)28-25(30)7-6-20(27-28)22(29)15-21-19-14-24-23(31-10-3-11-32-24)13-17(19)8-9-26-21/h2,4-5,12-15,26H,3,6-11H2,1H3/b21-15-InChIKey
FSKGPTLOHWTITJ-QNGOZBTKSA-NSynonyms
904500-90-9(Z)6(2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)acetyl)2(mtolyl)45dihydropyridazin3(2H)one
2(3methylphenyl)6((2Z)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)acetyl)45dihydropyridazin3(2H)one
6((2Z)2(2348910hexahydro(14)dioxepino(23g)isoquinolin7ylidene)acetyl)2(3methylphenyl)45dihydropyridazin3one
904500909
CC1=CC(=CC=C1)N2C(=O)CCC(=N2)C(=O)C=C3C4=CC5=C(C=C4CCN3)OCCCO5
Cc1cccc(c1)N1N=C(CCC1=O)C(=O)C=C1NCCc2c1cc1OCCCOc1c2
InChI=1SC25H25N3O4c11642518(1216)2825(30)7620(2728)22(29)152119142423(31103113224)1317(19)892621h245121526H3611H21H3b2115
MFCD08284917
ZINC000100941505
ZINC100941505
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