Vitas-M small molecule compound
(8S,8aR,11aS)-10-(5-chloro-2-methoxyphenyl)-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STK582965
SMILES COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2ccccc2)C=Cc2c1cccc2)Cl
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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 C28H21ClN2O4 MW 484.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21ClN2O4/c1-35-21-12-11-18(29)15-20(21)31-27(33)22-23(28(31)34)25(26(32)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/t22-,23+,24?,25-/m0/s1InChIKey
RWDICNCWKRFHPY-NPZNXQLHSA-NSynonyms
1014101-10-0(8S8aR11aS)10(5chloro2methoxyphenyl)8(phenylcarbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS)8benzoyl10(5chloro2methoxyphenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
1014101100
COC1=C(C=C(C=C1)Cl)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC=CC=C6
COc1ccc(cc1N1C(=O)(C@@H)2(C@H)(C1=O)C1N((C@@H)2C(=O)c2ccccc2)C=Cc2c1cccc2)Cl
InChI=1SC28H21ClN2O4c13521121118(29)1520(21)3127(33)2223(28(31)34)25(26(32)178324917)301413167561019(16)24(22)30h2152225H1H3t2223+24?25m0s1
MFCD18245707
ZINC000013759564
ZINC000018191386
Check stock
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Check stock on Vitas-MAvailable files
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