Vitas-M small molecule compound
1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-N-[(2E)-4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3-thiazol-2(3H)-ylidene]-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Catalog ID
STL038741
SMILES O=C(c1c(O)c2CCCCc2n(c1=O)Cc1ccco1)/N=c\1/scc([nH]1)C12CC3CC(C2)CC(C1)C3
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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 C28H31N3O4S MW 505.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O4S/c32-24-20-5-1-2-6-21(20)31(14-19-4-3-7-35-19)26(34)23(24)25(33)30-27-29-22(15-36-27)28-11-16-8-17(12-28)10-18(9-16)13-28/h3-4,7,15-18,32H,1-2,5-6,8-14H2,(H,29,30,33)InChIKey
OMRBQRGIOUFECS-UHFFFAOYSA-NSynonyms
423146-48-91(furan2ylmethyl)4hydroxy2oxoN((2E)4(tricyclo(3311~37~)dec1yl)13thiazol2(3H)ylidene)125678hexahydroquinoline3carboxamide
423146489
MFCD03809333
O=C(c1c(O)c2CCCCc2n(c1=O)Cc1ccco1)N=c1scc((nH)1)C12CC3CC(C2)CC(C1)C3
ZINC000009271942
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