Vitas-M small molecule compound
(4Z)-4-({3-[4-(morpholin-4-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-phenyl-5-[(pyridin-2-ylsulfanyl)methyl]-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK822982
SMILES O=C1N(N=C(/C/1=C/c1cn(nc1c1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccccc1)CSc1ccccn1)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 C35H30N6O4S2 MW 662.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H30N6O4S2/c42-35-31(32(25-46-33-13-7-8-18-36-33)37-41(35)29-11-5-2-6-12-29)23-27-24-40(28-9-3-1-4-10-28)38-34(27)26-14-16-30(17-15-26)47(43,44)39-19-21-45-22-20-39/h1-18,23-24H,19-22,25H2/b31-23-InChIKey
AXFRMGVYCOORFT-SXBRIOAWSA-NSynonyms
(4Z)4((3(4(morpholin4ylsulfonyl)phenyl)1phenyl1Hpyrazol4yl)methylidene)2phenyl5((pyridin2ylsulfanyl)methyl)24dihydro3Hpyrazol3one
(4Z)4((3(4morpholin4ylsulfonylphenyl)1phenylpyrazol4yl)methylidene)2phenyl5(pyridin2ylsulfanylmethyl)pyrazol3one
C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3=NN(C=C3C=C4C(=NN(C4=O)C5=CC=CC=C5)CSC6=CC=CC=N6)C7=CC=CC=C7
InChI=1SC35H30N6O4S2c423531(32(2546331378183633)3741(35)29115261229)23272440(2893141028)3834(27)26141630(171526)47(4344)39192145222039h1182324H192225H2b3123
MFCD03463544
O=C1N(N=C(C1=Cc1cn(nc1c1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccccc1)CSc1ccccn1)c1ccccc1
ZINC000097947123
ZINC97947123
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