Vitas-M small molecule compound
N~2~-[(1,3-benzothiazol-2-ylsulfanyl)acetyl]-N~2~-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N-phenylisovalinamide
Catalog ID
STK007854
SMILES CCC(N(c1c(=O)n(n(c1C)C)c1ccccc1)C(=O)CSc1sc2c(n1)cccc2)(C(=O)Nc1ccccc1)C
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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 C31H31N5O3S2 MW 585.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N5O3S2/c1-5-31(3,29(39)32-22-14-8-6-9-15-22)35(26(37)20-40-30-33-24-18-12-13-19-25(24)41-30)27-21(2)34(4)36(28(27)38)23-16-10-7-11-17-23/h6-19H,5,20H2,1-4H3,(H,32,39)InChIKey
AXVRUBZIJOBXTM-UHFFFAOYSA-NSynonyms
2((2(13BENZOTHIAZOL2YLSULFANYL)ACETYL)(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)AMINO)2METHYLNPHENYLBUTANAMIDE
CCC(C)(C(=O)NC1=CC=CC=C1)N(C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)CSC4=NC5=CC=CC=C5S4
CCC(N(c1c(=O)n(n(c1C)C)c1ccccc1)C(=O)CSc1sc2c(n1)cccc2)(C(=O)Nc1ccccc1)C
InChI=1SC31H31N5O3S2c1531(329(39)3222148691522)35(26(37)20403033241812131925(24)4130)2721(2)34(4)36(28(27)38)2316107111723h619H520H214H3(H3239)
MFCD08049271
N~2~((13benzothiazol2ylsulfanyl)acetyl)N~2~(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)Nphenylisovalinamide
N2((13BENZOTHIAZOL2YLSULFANYL)ACETYL)N2(15DIMETHYL3OXO2PHENYL23DIHYDRO1HPYRAZOL4YL)NPHENYLISOVALINAMIDE
STK007854
ZINC000098044737
ZINC000098044738
Check stock
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Check stock on Vitas-MAvailable files
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