Vitas-M small molecule compound
(2Z)-2-cyano-3-{3-[4-(ethylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide
Catalog ID
STK881325
SMILES CCSc1ccc(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 C26H26N4O2S MW 458.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O2S/c1-2-33-24-12-10-19(11-13-24)25-21(18-30(29-25)22-7-4-3-5-8-22)15-20(16-27)26(31)28-17-23-9-6-14-32-23/h3-5,7-8,10-13,15,18,23H,2,6,9,14,17H2,1H3,(H,28,31)/b20-15-InChIKey
UXNNPFRSELQLAI-HKWRFOASSA-NSynonyms
1008880-46-3(2Z)2cyano3(3(4(ethylsulfanyl)phenyl)1phenyl1Hpyrazol4yl)N(tetrahydrofuran2ylmethyl)prop2enamide
(Z)2cyano3(3(4(ethylthio)phenyl)1phenyl1Hpyrazol4yl)N((tetrahydrofuran2yl)methyl)acrylamide
(Z)2CYANO3(3(4ETHYLSULFANYLPHENYL)1PHENYLPYRAZOL4YL)N(OXOLAN2YLMETHYL)PROP2ENAMIDE
1008880463
CCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3CCCO3)C4=CC=CC=C4
CCSc1ccc(cc1)c1nn(cc1C=C(C(=O)NCC1CCCO1)C#N)c1ccccc1
InChI=1SC26H26N4O2Sc123324121019(111324)2521(1830(2925)227435822)1520(1627)26(31)28172396143223h35781013151823H2691417H21H3(H2831)b2015
MFCD03695018
ZINC000002257789
ZINC000002257791
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