Vitas-M small molecule compound
(1R,9R,16S,16aR)-4-(acetylamino)-12-oxo-N-(2-{[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]sulfonyl}ethyl)-1,9,10,12,16,16a-hexahydro-2H,8H-9,16-methanopyrido[2',1':4,5][1,5]diazocino[1,2-a]quinoline-1-carboxamide
Catalog ID
STL561709
SMILES CC(=O)Nc1ccc2c(c1)C[C@H]([C@@H]1N2C[C@H]2C[C@@H]1c1n(C2)c(=O)ccc1)C(=O)NCCS(=O)(=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 C35H40N6O6S MW 672.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H40N6O6S/c1-21(42)37-26-8-9-30-24(14-26)15-28(34-27-13-23(19-41(30)34)18-40-31(27)5-3-7-33(40)44)35(45)36-10-11-48(46,47)38-16-22-12-25(20-38)29-4-2-6-32(43)39(29)17-22/h2-9,14,22-23,25,27-28,34H,10-13,15-20H2,1H3,(H,36,45)(H,37,42)/t22-,23-,2InChIKey
FCLRCQDBUGYYNF-LBZFPDPASA-NSynonyms
(1R9R16S16aR)4(acetylamino)12oxoN(2(((1S5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)sulfonyl)ethyl)1910121616ahexahydro2H8H916methanopyrido(2145)(15)diazocino(12a)quinoline1carboxamide
CC(=O)Nc1ccc2c(c1)C(C@H)((C@@H)1N2C(C@H)2C(C@@H)1c1n(C2)c(=O)ccc1)C(=O)NCCS(=O)(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
MFCD32650774
ZINC001848442674
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