Vitas-M small molecule compound
(2Z)-1-(3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazol-5-yl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)ethanone
Catalog ID
STK607584
SMILES O=C(c1cc2c(s1)n(nc2C)c1ccccc1)/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 C26H23N3O3S MW 457.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O3S/c1-16-19-14-25(33-26(19)29(28-16)18-6-3-2-4-7-18)22(30)15-21-20-13-24-23(31-10-5-11-32-24)12-17(20)8-9-27-21/h2-4,6-7,12-15,27H,5,8-11H2,1H3/b21-15-InChIKey
PYOVCZHVYSKJST-QNGOZBTKSA-NSynonyms
904011-47-8(2Z)1(3methyl1phenyl1Hthieno(23c)pyrazol5yl)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)ethanone
(2Z)2(2348910hexahydro(14)dioxepino(23g)isoquinolin7ylidene)1(3methyl1phenylthieno(23c)pyrazol5yl)ethanone
(Z)1(3methyl1phenyl1Hthieno(23c)pyrazol5yl)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)ethanone
CC1=NN(C2=C1C=C(S2)C(=O)C=C3C4=CC5=C(C=C4CCN3)OCCCO5)C6=CC=CC=C6
O=C(c1cc2c(s1)n(nc2C)c1ccccc1)C=C1NCCc2c1cc1OCCCOc1c2
Registry IDs
MFCD08286283ZINC000013593172
ZINC13593172
Check stock
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Check stock on Vitas-MAvailable files
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