Vitas-M small molecule compound
(2Z)-2-cyano-3-{1-phenyl-3-[4-(propylsulfanyl)phenyl]-1H-pyrazol-4-yl}-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide
Catalog ID
STK881046
SMILES CCCSc1ccc(cc1)c1nn(cc1/C=C(\C(=O)NCC1CCCO1)/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/c1-2-15-34-25-12-10-20(11-13-25)26-22(19-31(30-26)23-7-4-3-5-8-23)16-21(17-28)27(32)29-18-24-9-6-14-33-24/h3-5,7-8,10-13,16,19,24H,2,6,9,14-15,18H2,1H3,(H,29,32)/b21-16-InChIKey
MQNBFILSWWYZED-PGMHBOJBSA-NSynonyms
1008879-00-2(2Z)2cyano3(1phenyl3(4(propylsulfanyl)phenyl)1Hpyrazol4yl)N(tetrahydrofuran2ylmethyl)prop2enamide
(Z)2cyano3(1phenyl3(4(propylthio)phenyl)1Hpyrazol4yl)N((tetrahydrofuran2yl)methyl)acrylamide
(Z)2CYANON(OXOLAN2YLMETHYL)3(1PHENYL3(4PROPYLSULFANYLPHENYL)PYRAZOL4YL)PROP2ENAMIDE
1008879002
CCCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3CCCO3)C4=CC=CC=C4
CCCSc1ccc(cc1)c1nn(cc1C=C(C(=O)NCC1CCCO1)C#N)c1ccccc1
InChI=1SC27H28N4O2Sc12153425121020(111325)2622(1931(3026)237435823)1621(1728)27(32)29182496143324h35781013161924H269141518H21H3(H2932)b2116
MFCD03689329
ZINC000009461980
ZINC000013713092
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