Vitas-M small molecule compound
2-(1,3-benzothiazol-2-yl)-5-[2-(4-methoxyphenyl)ethyl]-4-methyl-3,6-dioxo-N-phenyl-2,3,5,6-tetrahydro-1H-pyrazolo[4,3-c]pyridine-7-carbothioamide
Catalog ID
STK513493
SMILES COc1ccc(cc1)CCn1c(=O)c(C(=S)Nc2ccccc2)c2c(c1C)c(=O)n([nH]2)c1nc2c(s1)cccc2
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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 C30H25N5O3S2 MW 567.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N5O3S2/c1-18-24-26(33-35(29(24)37)30-32-22-10-6-7-11-23(22)40-30)25(27(39)31-20-8-4-3-5-9-20)28(36)34(18)17-16-19-12-14-21(38-2)15-13-19/h3-15,33H,16-17H2,1-2H3,(H,31,39)InChIKey
FBCZIXGKABKEML-UHFFFAOYSA-NSynonyms
2(13benzothiazol2yl)5(2(4methoxyphenyl)ethyl)4methyl36dioxoNphenyl1Hpyrazolo(43c)pyridine7carbothioamide
2(13benzothiazol2yl)5(2(4methoxyphenyl)ethyl)4methyl36dioxoNphenyl2356tetrahydro1Hpyrazolo(43c)pyridine7carbothioamide
2BENZOTHIAZOL2YL5(2(4METHOXYPHENYL)ETHYL)4METHYL7((PHENYLAMINO)THIOXOMETHYL)5HYDRO3PYRAZOLINO(43C)PYRIDINE36DIONE
CC1=C2C(=C(C(=O)N1CCC3=CC=C(C=C3)OC)C(=S)NC4=CC=CC=C4)NN(C2=O)C5=NC6=CC=CC=C6S5
COc1ccc(cc1)CCn1c(=O)c(C(=S)Nc2ccccc2)c2c(c1C)c(=O)n((nH)2)c1nc2c(s1)cccc2
InChI=1SC30H25N5O3S2c1182426(3335(29(24)37)30322210671123(22)4030)25(27(39)31208435920)28(36)34(18)171619121421(382)151319h31533H1617H212H3(H3139)
MFCD08545671
ZINC000098042785
ZINC98042785
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.