Vitas-M small molecule compound
(2Z)-3-{3-[4-(butylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile
Catalog ID
STL234058
SMILES CCCCSc1ccc(cc1)c1nn(cc1/C=C(\C(=O)N1CCOCC1)/C#N)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 C27H28N4O2S MW 472.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O2S/c1-2-3-17-34-25-11-9-21(10-12-25)26-23(20-31(29-26)24-7-5-4-6-8-24)18-22(19-28)27(32)30-13-15-33-16-14-30/h4-12,18,20H,2-3,13-17H2,1H3/b22-18-InChIKey
LJTCGVBPAYIYGZ-PYCFMQQDSA-NSynonyms
1008878-57-6(2Z)3(3(4(butylsulfanyl)phenyl)1phenyl1Hpyrazol4yl)2(morpholin4ylcarbonyl)prop2enenitrile
(Z)3(3(4(butylthio)phenyl)1phenyl1Hpyrazol4yl)2(morpholine4carbonyl)acrylonitrile
(Z)3(3(4butylsulfanylphenyl)1phenylpyrazol4yl)2(morpholine4carbonyl)prop2enenitrile
1008878576
CCCCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)N3CCOCC3)C4=CC=CC=C4
CCCCSc1ccc(cc1)c1nn(cc1C=C(C(=O)N1CCOCC1)C#N)c1ccccc1
InChI=1SC27H28N4O2Sc12317342511921(101225)2623(2031(2926)247546824)1822(1928)27(32)30131533161430h4121820H231317H21H3b2218
MFCD03688103
ZINC000013712758
ZINC13712758
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