Vitas-M small molecule compound
4-{[(8R,8aR,11aS,11bS)-10-(naphthalen-1-yl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-8-yl]carbonyl}phenyl acetate
Catalog ID
STK556556
SMILES CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2C=Cc3c([C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc2c1cccc2)cccc3
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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 C33H24N2O5 MW 528.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H24N2O5/c1-19(36)40-23-15-13-22(14-16-23)31(37)30-28-27(29-25-11-5-3-8-21(25)17-18-34(29)30)32(38)35(33(28)39)26-12-6-9-20-7-2-4-10-24(20)26/h2-18,27-30H,1H3/t27-,28+,29+,30+/m0/s1InChIKey
TVPGMXLCPQXRHJ-MIPYOGIXSA-NSynonyms
1013792-59-01013792590
4(((8R8aR11aS11bS)10(naphthalen1yl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin8yl)carbonyl)phenylacetate
4((8R8aR11aS11bS)10(naphthalen1yl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carbonyl)phenylacetate
CC(=O)OC1=CC=C(C=C1)C(=O)C2C3C(C4N2C=CC5=CC=CC=C45)C(=O)N(C3=O)C6=CC=CC7=CC=CC=C76
CC(=O)Oc1ccc(cc1)C(=O)(C@@H)1N2C=Cc3c((C@@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1cccc2c1cccc2)cccc3
InChI=1SC33H24N2O5c119(36)4023151322(141623)31(37)302827(29251153821(25)171834(29)30)32(38)35(33(28)39)261269207241024(20)26h2182730H1H3t2728+29+30+m0s1
MFCD18242953
ZINC000101055244
ZINC101055244
Check stock
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Check stock on Vitas-MAvailable files
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