Vitas-M small molecule compound
(8S,8aR,11aS)-N-(4-chloro-3-nitrophenyl)-10-(2-methoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Catalog ID
STL041085
SMILES COc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)Nc2ccc(c(c2)[N+](=O)[O-])Cl)C=Cc2c1cccc2
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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 C28H21ClN4O6 MW 544.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21ClN4O6/c1-39-21-9-5-4-8-19(21)32-27(35)22-23(28(32)36)25(31-13-12-15-6-2-3-7-17(15)24(22)31)26(34)30-16-10-11-18(29)20(14-16)33(37)38/h2-14,22-25H,1H3,(H,30,34)/t22-,23+,24?,25-/m0/s1InChIKey
RNFZWLJSTLRXID-NPZNXQLHSA-NSynonyms
1013852-91-9(8S8aR11aS)N(4chloro3nitrophenyl)10(2methoxyphenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
1013852919
COC1=CC=CC=C1N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)NC6=CC(=C(C=C6)Cl)(N+)(=O)(O)
COc1ccccc1N1C(=O)(C@@H)2(C@H)(C1=O)C1N((C@@H)2C(=O)Nc2ccc(c(c2)(N+)(=O)(O))Cl)C=Cc2c1cccc2
InChI=1SC28H21ClN4O6c13921954819(21)3227(35)2223(28(32)36)25(31131215623717(15)24(22)31)26(34)3016101118(29)20(1416)33(37)38h2142225H1H3(H3034)t2223+24?25m0s1
MFCD18248073
ZINC000101165739
ZINC000101165743
Check stock
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