Vitas-M small molecule compound
(8S,8aR,11aS,11bS)-10-(2-methoxy-5-nitrophenyl)-9,11-dioxo-N-phenyl-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Catalog ID
STK555739
SMILES COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)Nc2ccccc2)C=Cc2c1cccc2)[N+](=O)[O-]
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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 C28H22N4O6 MW 510.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N4O6/c1-38-21-12-11-18(32(36)37)15-20(21)31-27(34)22-23(28(31)35)25(26(33)29-17-8-3-2-4-9-17)30-14-13-16-7-5-6-10-19(16)24(22)30/h2-15,22-25H,1H3,(H,29,33)/t22-,23+,24+,25-/m0/s1InChIKey
APYOWEFPEDOEQV-LIONHTAISA-NSynonyms
1013987-70-6(8S8aR11aS11bS)10(2methoxy5nitrophenyl)911dioxoNphenyl8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
1013987706
COC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)NC6=CC=CC=C6
COc1ccc(cc1N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)1N((C@@H)2C(=O)Nc2ccccc2)C=Cc2c1cccc2)(N+)(=O)(O)
InChI=1SC28H22N4O6c13821121118(32(36)37)1520(21)3127(34)2223(28(31)35)25(26(33)29178324917)301413167561019(16)24(22)30h2152225H1H3(H2933)t2223+24+25m0s1
MFCD18242889
ZINC000015974783
ZINC15974783
Check stock
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Check stock on Vitas-MAvailable files
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