Vitas-M small molecule compound
ethyl 4-(6-fluoro-1-hexyl-4-oxo-3-{[(2E)-4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3-thiazol-2(3H)-ylidene]carbamoyl}-1,4-dihydroquinolin-7-yl)piperazine-1-carboxylate
Catalog ID
STL147365
SMILES CCCCCCn1cc(C(=O)/N=c\2/scc([nH]2)C23CC4CC(C3)CC(C2)C4)c(=O)c2c1cc(N1CCN(CC1)C(=O)OCC)c(c2)F
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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 C36H46FN5O4S MW 663.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H46FN5O4S/c1-3-5-6-7-8-42-21-27(33(44)39-34-38-31(22-47-34)36-18-23-13-24(19-36)15-25(14-23)20-36)32(43)26-16-28(37)30(17-29(26)42)40-9-11-41(12-10-40)35(45)46-4-2/h16-17,21-25H,3-15,18-20H2,1-2H3,(H,38,39,44)InChIKey
OQKPBFIIYBGNPY-UHFFFAOYSA-NSynonyms
CCCCCCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)OCC)F)C(=O)NC4=NC(=CS4)C56CC7CC(C5)CC(C7)C6
CCCCCCn1cc(C(=O)N=c2scc((nH)2)C23CC4CC(C3)CC(C2)C4)c(=O)c2c1cc(N1CCN(CC1)C(=O)OCC)c(c2)F
ETHYL4(3((4(1ADAMANTYL)13THIAZOL2YL)CARBAMOYL)6FLUORO1HEXYL4OXOQUINOLIN7YL)PIPERAZINE1CARBOXYLATE
ethyl4(6fluoro1hexyl4oxo3(((2E)4(tricyclo(3311~37~)dec1yl)13thiazol2(3H)ylidene)carbamoyl)14dihydroquinolin7yl)piperazine1carboxylate
InChI=1SC36H46FN5O4Sc135678422127(33(44)39343831(224734)3618231324(1936)1525(1423)2036)32(43)261628(37)30(1729(26)42)4091141(121040)35(45)4642h16172125H3151820H212H3(H383944)
ZINC000008441545
ZINC08441545
ZINC8441545
Check stock
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Check stock on Vitas-MAvailable files
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