Vitas-M small molecule compound
(4Z)-5-{[(4-chlorophenyl)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
STK822599
SMILES Clc1ccc(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 C36H30ClN5O4S2 MW 696.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H30ClN5O4S2/c37-28-13-15-31(16-14-28)47-25-34-33(36(43)42(38-34)30-9-5-2-6-10-30)23-27-24-41(29-7-3-1-4-8-29)39-35(27)26-11-17-32(18-12-26)48(44,45)40-19-21-46-22-20-40/h1-18,23-24H,19-22,25H2/b33-23-InChIKey
YNDYJWNHFLIOST-SNCSUOKWSA-NSynonyms
(4Z)5(((4chlorophenyl)sulfanyl)methyl)4((3(4(morpholin4ylsulfonyl)phenyl)1phenyl1Hpyrazol4yl)methylidene)2phenyl24dihydro3Hpyrazol3one
(4Z)5((4chlorophenyl)sulfanylmethyl)4((3(4morpholin4ylsulfonylphenyl)1phenylpyrazol4yl)methylidene)2phenylpyrazol3one
C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3=NN(C=C3C=C4C(=NN(C4=O)C5=CC=CC=C5)CSC6=CC=C(C=C6)Cl)C7=CC=CC=C7
Clc1ccc(cc1)SCC1=NN(C(=O)C1=Cc1cn(nc1c1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccccc1)c1ccccc1
InChI=1SC36H30ClN5O4S2c3728131531(161428)47253433(36(43)42(3834)3095261030)23272441(297314829)3935(27)26111732(181226)48(4445)40192146222040h1182324H192225H2b3323
MFCD03212205
ZINC000097947087
ZINC97947087
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