Vitas-M small molecule compound
Catalog ID
STK690118
SMILES COc1ccc(cc1)C1=NOC(C1)(C)[C@H]1CC=C(/C(=N\NC(=O)c2cccs2)/C1)C
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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 C23H25N3O3S MW 423.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O3S/c1-15-6-9-17(13-19(15)24-25-22(27)21-5-4-12-30-21)23(2)14-20(26-29-23)16-7-10-18(28-3)11-8-16/h4-8,10-12,17H,9,13-14H2,1-3H3,(H,25,27)/b24-19-/t17-,23?/m0/s1InChIKey
FKNUFCZFMYIGJZ-VPVLLAGCSA-NSynonyms
CC1=CCC(CC1=NNC(=O)C2=CC=CS2)C3(CC(=NO3)C4=CC=C(C=C4)OC)C
COc1ccc(cc1)C1=NOC(C1)(C)(C@H)1CC=C(C(=NNC(=O)c2cccs2)C1)C
InChI=1SC23H25N3O3Sc1156917(1319(15)242522(27)2154123021)23(2)1420(262923)1671018(283)11816h48101217H91314H213H3(H2527)b2419t1723?m0s1
N((Z)((5S)5(3(4methoxyphenyl)5methyl4H12oxazol5yl)2methylcyclohex2en1ylidene)amino)thiophene2carboxamide
ZINC000100225956
ZINC000100225959
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