Vitas-M small molecule compound
(1S,5R)-3-[(7-chloro-4-oxo-1,4-dihydroquinolin-3-yl)carbonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL551003
SMILES Clc1ccc2c(c1)[nH]cc(c2=O)C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
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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 C21H18ClN3O3 MW 395.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O3/c22-14-4-5-15-17(7-14)23-8-16(20(15)27)21(28)24-9-12-6-13(11-24)18-2-1-3-19(26)25(18)10-12/h1-5,7-8,12-13H,6,9-11H2,(H,23,27)/t12-,13+/m1/s1InChIKey
HXBYQKYXRUZHOY-OLZOCXBDSA-NSynonyms
(1~(S)9~(R))11(7chloro4oxo1~(H)quinoline3carbonyl)711diazatricyclo(7310^(27))trideca24dien6one
(1S5R)3((7chloro4oxo14dihydroquinolin3yl)carbonyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
127253864
InChI=1SC21H18ClN3O3c2214451517(714)23816(20(15)27)21(28)24912613(1124)1821319(26)25(18)1012h15781213H6911H2(H2327)t1213+m1s1
ZINC000604404009
ZINC604404009
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