Vitas-M small molecule compound
(6bR,8S,11R,11aS)-12-[(4-methoxyphenyl)carbonyl]-6a,6b,10,11,11a,12-hexahydro-8,11-epoxyoxepino[4',5':3,4]pyrrolo[1,2-a]quinolin-7(8H)-one
Catalog ID
STK754993
SMILES COc1ccc(cc1)C(=O)C1[C@H]2[C@@H]3CO[C@@H](O3)C(=O)[C@H]2C2N1c1ccccc1C=C2
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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 C24H21NO5 MW 403.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21NO5/c1-28-15-9-6-14(7-10-15)22(26)21-20-18-12-29-24(30-18)23(27)19(20)17-11-8-13-4-2-3-5-16(13)25(17)21/h2-11,17-21,24H,12H2,1H3/t17?,18-,19-,20-,21?,24-/m0/s1InChIKey
ANYSXNGUTHIOFQ-QWGJBIHASA-NSynonyms
(6bR8S11R11aS)12((4methoxyphenyl)carbonyl)6a6b101111a12hexahydro811epoxyoxepino(4534)pyrrolo(12a)quinolin7(8H)one
COC1=CC=C(C=C1)C(=O)C2C3C4COC(O4)C(=O)C3C5N2C6=CC=CC=C6C=C5
COc1ccc(cc1)C(=O)C1(C@H)2(C@@H)3CO(C@@H)(O3)C(=O)(C@H)2C2N1c1ccccc1C=C2
InChI=1SC24H21NO5c128159614(71015)22(26)212018122924(3018)23(27)19(20)1711813423516(13)25(17)21h211172124H12H21H3t17?18192021?24m0s1
MFCD08141979
ZINC000001445430
ZINC000006646115
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