Vitas-M small molecule compound

(4Z)-5-{[(4-methylphenyl)sulfanyl]methyl}-4-({3-[4-(morpholin-4-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK822603
SMILES Cc1ccc(cc1)SCC1=NN(C(=O)/C/1=C\c1cn(nc1c1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccccc1)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 C37H33N5O4S2 MW 675.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H33N5O4S2/c1-27-12-16-32(17-13-27)47-26-35-34(37(43)42(38-35)31-10-6-3-7-11-31)24-29-25-41(30-8-4-2-5-9-30)39-36(29)28-14-18-33(19-15-28)48(44,45)40-20-22-46-23-21-40/h2-19,24-25H,20-23,26H2,1H3/b34-24-
InChIKey
IUTBRDBCLLOZEP-BCJTWVECSA-N
Synonyms

(4Z)5(((4methylphenyl)sulfanyl)methyl)4((3(4(morpholin4ylsulfonyl)phenyl)1phenyl1Hpyrazol4yl)methylidene)2phenyl24dihydro3Hpyrazol3one
(4Z)5((4methylphenyl)sulfanylmethyl)4((3(4morpholin4ylsulfonylphenyl)1phenylpyrazol4yl)methylidene)2phenylpyrazol3one
CC1=CC=C(C=C1)SCC2=NN(C(=O)C2=CC3=CN(N=C3C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5)C6=CC=CC=C6)C7=CC=CC=C7
Cc1ccc(cc1)SCC1=NN(C(=O)C1=Cc1cn(nc1c1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccccc1)c1ccccc1
InChI=1SC37H33N5O4S2c127121632(171327)47263534(37(43)42(3835)31106371131)24292541(308425930)3936(29)28141833(191528)48(4445)40202246232140h2192425H202326H21H3b3424
MFCD03212209
ZINC000097947090
ZINC97947090

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Available files

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