Vitas-M small molecule compound
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3-thiazol-2-yl]-1,4-dihydroquinoline-3-carboxamide
Catalog ID
STL059130
SMILES CCn1cc(C(=O)Nc2scc(n2)C23CC4CC(C3)CC(C2)C4)c(=O)c2c1cc(N1CCN(CC1)C)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 C30H36FN5O2S MW 549.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36FN5O2S/c1-3-35-16-22(27(37)21-11-23(31)25(12-24(21)35)36-6-4-34(2)5-7-36)28(38)33-29-32-26(17-39-29)30-13-18-8-19(14-30)10-20(9-18)15-30/h11-12,16-20H,3-10,13-15H2,1-2H3,(H,32,33,38)InChIKey
USFGEBXPFGBGIC-UHFFFAOYSA-NSynonyms
303953-30-21ethyl6fluoro7(4methylpiperazin1yl)4oxoN(4(tricyclo(3311~37~)dec1yl)13thiazol2yl)14dihydroquinoline3carboxamide
303953302
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)NC4=NC(=CS4)C56CC7CC(C5)CC(C7)C6
InChI=1SC30H36FN5O2Sc13351622(27(37)211123(31)25(1224(21)35)366434(2)5736)28(38)33293226(173929)301318819(1430)1020(918)1530h11121620H3101315H212H3(H323338)
MFCD01852949
N(4((3r5r7r)adamantan1yl)thiazol2yl)1ethyl6fluoro7(4methylpiperazin1yl)4oxo14dihydroquinoline3carboxamide
N(4(1ADAMANTYL)13THIAZOL2YL)1ETHYL6FLUORO7(4METHYLPIPERAZIN1YL)4OXOQUINOLINE3CARBOXAMIDE
ZINC000097949649
ZINC97949649
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