Vitas-M small molecule compound
4-{[(6aS,6bR,9aS,10R)-8-(4-butoxyphenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinolin-10-yl]carbonyl}phenyl acetate
Catalog ID
STK552013
SMILES CCCCOc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)c1ccc(cc1)OC(=O)C
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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 C33H30N2O6 MW 550.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N2O6/c1-3-4-19-40-24-16-12-23(13-17-24)34-32(38)28-27-18-11-21-7-5-6-8-26(21)35(27)30(29(28)33(34)39)31(37)22-9-14-25(15-10-22)41-20(2)36/h5-18,27-30H,3-4,19H2,1-2H3/t27-,28-,29-,30+/m0/s1InChIKey
FJZGJLYSQINUKB-GCXHJFECSA-NSynonyms
4(((6aS6bR9aS10R)8(4butoxyphenyl)79dioxo6b7899a10hexahydro6aHpyrrolo(3434)pyrrolo(12a)quinolin10yl)carbonyl)phenylacetate
4((6aS6bR9aS10R)8(4butoxyphenyl)79dioxo6b7899a10hexahydro6aHpyrrolo(3434)pyrrolo(12a)quinoline10carbonyl)phenylacetate
CCCCOC1=CC=C(C=C1)N2C(=O)C3C4C=CC5=CC=CC=C5N4C(C3C2=O)C(=O)C6=CC=C(C=C6)OC(=O)C
CCCCOc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)(N1(C@H)2C=Cc2c1cccc2)C(=O)c1ccc(cc1)OC(=O)C
InChI=1SC33H30N2O6c134194024161223(131724)3432(38)2827181121756826(21)35(27)30(29(28)33(34)39)31(37)2291425(151022)4120(2)36h5182730H3419H212H3t27282930+m0s1
MFCD18242619
ZINC000102460381
ZINC102460381
Check stock
See real-time availability and sample size for STK552013 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.