Vitas-M small molecule compound
(2Z)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-{1-phenyl-3-[4-(propylsulfanyl)phenyl]-1H-pyrazol-4-yl}prop-2-enamide
Catalog ID
STK706603
SMILES CCCSc1ccc(cc1)c1nn(cc1/C=C(\C(=O)NC1CCS(=O)(=O)C1)/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 C26H26N4O3S2 MW 506.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O3S2/c1-2-13-34-24-10-8-19(9-11-24)25-21(17-30(29-25)23-6-4-3-5-7-23)15-20(16-27)26(31)28-22-12-14-35(32,33)18-22/h3-11,15,17,22H,2,12-14,18H2,1H3,(H,28,31)/b20-15-InChIKey
SADBWTOTMSOHSB-HKWRFOASSA-NSynonyms
1268704-89-7(2Z)2cyanoN(11dioxidotetrahydrothiophen3yl)3(1phenyl3(4(propylsulfanyl)phenyl)1Hpyrazol4yl)prop2enamide
(Z)2cyanoN(11dioxidotetrahydrothiophen3yl)3(1phenyl3(4(propylthio)phenyl)1Hpyrazol4yl)acrylamide
(Z)2cyanoN(11dioxothiolan3yl)3(1phenyl3(4propylsulfanylphenyl)pyrazol4yl)prop2enamide
1268704897
CCCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC3CCS(=O)(=O)C3)C4=CC=CC=C4
CCCSc1ccc(cc1)c1nn(cc1C=C(C(=O)NC1CCS(=O)(=O)C1)C#N)c1ccccc1
InChI=1SC26H26N4O3S2c1213342410819(91124)2521(1730(2925)236435723)1520(1627)26(31)2822121435(3233)1822h311151722H2121418H21H3(H2831)b2015
MFCD03691803
ZINC000002253509
ZINC000009462916
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