Vitas-M small molecule compound
N-{(1Z)-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-3-oxo-1-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-1-en-2-yl}-4-methylbenzamide
Catalog ID
STK876877
SMILES Cc1ccc(cc1)C(=O)N/C(=C\c1cn(nc1c1cccs1)c1ccccc1)/C(=O)NC1CCS(=O)(=O)C1
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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 C28H26N4O4S2 MW 546.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O4S2/c1-19-9-11-20(12-10-19)27(33)30-24(28(34)29-22-13-15-38(35,36)18-22)16-21-17-32(23-6-3-2-4-7-23)31-26(21)25-8-5-14-37-25/h2-12,14,16-17,22H,13,15,18H2,1H3,(H,29,34)(H,30,33)/b24-16-InChIKey
WCABXMDYVIKCEM-JLPGSUDCSA-NSynonyms
384353-09-7(2Z)N(11DIOXOTHIOLAN3YL)2((4METHYLPHENYL)CARBONYLAMINO)3(1PHENYL3(2THIENYL)PYRAZOL4YL)PROP2ENAMIDE
(Z)N(3((11dioxidotetrahydrothiophen3yl)amino)3oxo1(1phenyl3(thiophen2yl)1Hpyrazol4yl)prop1en2yl)4methylbenzamide
384353097
CC1=CC=C(C=C1)C(=O)NC(=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C(=O)NC5CCS(=O)(=O)C5
Cc1ccc(cc1)C(=O)NC(=Cc1cn(nc1c1cccs1)c1ccccc1)C(=O)NC1CCS(=O)(=O)C1
InChI=1SC28H26N4O4S2c11991120(121019)27(33)3024(28(34)2922131538(3536)1822)16211732(236324723)3126(21)2585143725h21214161722H131518H21H3(H2934)(H3033)b2416
MFCD03285341
N((1Z)3((11dioxidotetrahydrothiophen3yl)amino)3oxo1(1phenyl3(thiophen2yl)1Hpyrazol4yl)prop1en2yl)4methylbenzamide
N((Z)3((11dioxothiolan3yl)amino)3oxo1(1phenyl3thiophen2ylpyrazol4yl)prop1en2yl)4methylbenzamide
ZINC000100737459
ZINC000100737466
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