Vitas-M small molecule compound
1-ethyl-6-fluoro-7-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-4-oxo-N-[(2E)-4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3-thiazol-2(3H)-ylidene]-1,4-dihydroquinoline-3-carboxamide
Catalog ID
STL150333
SMILES CCn1cc(C(=O)/N=c\2/scc([nH]2)C23CC4CC(C3)CC(C2)C4)c(=O)c2c1cc(N1CCN(CC1)C(=O)c1ccco1)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 C34H36FN5O4S MW 629.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H36FN5O4S/c1-2-38-18-24(31(42)37-33-36-29(19-45-33)34-15-20-10-21(16-34)12-22(11-20)17-34)30(41)23-13-25(35)27(14-26(23)38)39-5-7-40(8-6-39)32(43)28-4-3-9-44-28/h3-4,9,13-14,18-22H,2,5-8,10-12,15-17H2,1H3,(H,36,37,42)InChIKey
MSTAEMWOTVRGGS-UHFFFAOYSA-NSynonyms
1ethyl6fluoro7(4(furan2ylcarbonyl)piperazin1yl)4oxoN((2E)4(tricyclo(3311~37~)dec1yl)13thiazol2(3H)ylidene)14dihydroquinoline3carboxamide
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=CO4)F)C(=O)NC5=NC(=CS5)C67CC8CC(C6)CC(C8)C7
CCn1cc(C(=O)N=c2scc((nH)2)C23CC4CC(C3)CC(C2)C4)c(=O)c2c1cc(N1CCN(CC1)C(=O)c1ccco1)c(c2)F
InChI=1SC34H36FN5O4Sc12381824(31(42)37333629(194533)3415201021(1634)1222(1120)1734)30(41)231325(35)27(1426(23)38)395740(8639)32(43)284394428h34913141822H25810121517H21H3(H363742)
N(4(1ADAMANTYL)13THIAZOL2YL)1ETHYL6FLUORO7(4(2FUROYL)1PIPERAZINYL)4OXO14DIHYDRO3QUINOLINECARBOXAMIDE
N(4(1ADAMANTYL)13THIAZOL2YL)1ETHYL6FLUORO7(4(FURAN2CARBONYL)PIPERAZIN1YL)4OXOQUINOLINE3CARBOXAMIDE
ZINC000008441546
ZINC08441546
ZINC8441546
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