Vitas-M small molecule compound
methyl (2Z)-{2-[(7Z)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}ethanoate
Catalog ID
STK993736
SMILES COC(=O)/C=C/1\SC(=NC1=O)N1N=C2C(C1c1ccccc1)CCC/C/2=C/c1ccccc1
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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/c1-32-22(30)16-21-25(31)27-26(33-21)29-24(18-11-6-3-7-12-18)20-14-8-13-19(23(20)28-29)15-17-9-4-2-5-10-17/h2-7,9-12,15-16,20,24H,8,13-14H2,1H3/b19-15-,21-16-InChIKey
WMJBPIRHGNRHCD-FZBYNPQBSA-NSynonyms
COC(=O)C=C1C(=O)N=C(S1)N2C(C3CCCC(=CC4=CC=CC=C4)C3=N2)C5=CC=CC=C5
COC(=O)C=C1SC(=NC1=O)N1N=C2C(C1c1ccccc1)CCCC2=Cc1ccccc1
InChI=1SC26H23N3O3Sc13222(30)162125(31)2726(3321)2924(18116371218)201481319(23(20)2829)151794251017h2791215162024H81314H21H3b19152116
methyl(2Z)(2((7Z)7benzylidene3phenyl33a4567hexahydro2Hindazol2yl)4oxo13thiazol5(4H)ylidene)ethanoate
methyl(2Z)2(2((7Z)7benzylidene3phenyl3a456tetrahydro3Hindazol2yl)4oxo13thiazol5ylidene)acetate
MFCD18185001
ZINC000051330482
ZINC000051330488
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