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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-(diphenylmethyl)isovalinamide

Catalog ID
STK059252
SMILES CCC(N(c1c(C)n(n(c1=O)c1ccccc1)C)C(=O)CSc1nc2c(s1)cccc2)(C(=O)NC(c1ccccc1)c1ccccc1)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 C38H37N5O3S2 MW 675.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H37N5O3S2/c1-5-38(3,36(46)40-33(27-17-9-6-10-18-27)28-19-11-7-12-20-28)42(32(44)25-47-37-39-30-23-15-16-24-31(30)48-37)34-26(2)41(4)43(35(34)45)29-21-13-8-14-22-29/h6-24,33H,5,25H2,1-4H3,(H,40,46)
InChIKey
GCXDFGAZGAFKKQ-UHFFFAOYSA-N
Synonyms

CCC(C)(C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)N(C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C(=O)CSC5=NC6=CC=CC=C6S5
CCC(N(c1c(C)n(n(c1=O)c1ccccc1)C)C(=O)CSc1nc2c(s1)cccc2)(C(=O)NC(c1ccccc1)c1ccccc1)C
InChI=1SC38H37N5O3S2c1538(336(46)4033(271796101827)2819117122028)42(32(44)25473739302315162431(30)4837)3426(2)41(4)43(35(34)45)2921138142229h62433H525H214H3(H4046)
MFCD02945211
N~2~((13benzothiazol2ylsulfanyl)acetyl)N~2~(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)N(diphenylmethyl)isovalinamide
N2((13BENZOTHIAZOL2YLSULFANYL)ACETYL)N2(15DIMETHYL3OXO2PHENYL23DIHYDRO1HPYRAZOL4YL)N(DIPHENYLMETHYL)ISOVALINAMIDE
NBENZHYDRYL2((2(13BENZOTHIAZOL2YLSULFANYL)ACETYL)(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)AMINO)2METHYLBUTANAMIDE
STK059252
ZINC000008445561
ZINC000008445562

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Available files

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