Vitas-M small molecule compound
4-{[(8R,8aR,11aS,11bS)-10-(3-nitrophenyl)-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
STK557191
SMILES CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2C=Cc3c([C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-])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 C29H21N3O7 MW 523.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21N3O7/c1-16(33)39-21-11-9-18(10-12-21)27(34)26-24-23(25-22-8-3-2-5-17(22)13-14-30(25)26)28(35)31(29(24)36)19-6-4-7-20(15-19)32(37)38/h2-15,23-26H,1H3/t23-,24+,25+,26+/m0/s1InChIKey
POLBNWSKKGGQQL-BKKFENPESA-NSynonyms
1013792-89-61013792896
4(((8R8aR11aS11bS)10(3nitrophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin8yl)carbonyl)phenylacetate
4((8R8aR11aS11bS)10(3nitrophenyl)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(=CC=C6)(N+)(=O)(O)
CC(=O)Oc1ccc(cc1)C(=O)(C@@H)1N2C=Cc3c((C@@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1cccc(c1)(N+)(=O)(O))cccc3
InChI=1SC29H21N3O7c116(33)392111918(101221)27(34)262423(2522832517(22)131430(25)26)28(35)31(29(24)36)1964720(1519)32(37)38h2152326H1H3t2324+25+26+m0s1
MFCD18242986
ZINC000101068115
ZINC101068115
Check stock
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Check stock on Vitas-MAvailable files
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