Vitas-M small molecule compound
(6aS,6bR,9aS,10R)-8-(1,3-benzodioxol-5-yl)-3-chloro-5-methyl-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Catalog ID
STK558058
SMILES Clc1ccc2c(c1)C(=C[C@@H]1N2[C@@H](C(=O)c2ccccc2)[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2)C
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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 C29H21ClN2O5 MW 512.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21ClN2O5/c1-15-11-21-24-25(29(35)31(28(24)34)18-8-10-22-23(13-18)37-14-36-22)26(27(33)16-5-3-2-4-6-16)32(21)20-9-7-17(30)12-19(15)20/h2-13,21,24-26H,14H2,1H3/t21-,24-,25-,26+/m0/s1InChIKey
VCYXWWVNBCHCLS-CPPMQADQSA-NSynonyms
958951-14-9(6aS6bR9aS10R)8(13benzodioxol5yl)3chloro5methyl10(phenylcarbonyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
(6aS6bR9aS10R)8(benzo(d)(13)dioxol5yl)10benzoyl3chloro5methyl9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
958951149
CC1=CC2C3C(C(N2C4=C1C=C(C=C4)Cl)C(=O)C5=CC=CC=C5)C(=O)N(C3=O)C6=CC7=C(C=C6)OCO7
Clc1ccc2c(c1)C(=C(C@@H)1N2(C@@H)(C(=O)c2ccccc2)(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc2c(c1)OCO2)C
InChI=1SC29H21ClN2O5c11511212425(29(35)31(28(24)34)188102223(1318)37143622)26(27(33)165324616)32(21)209717(30)1219(15)20h213212426H14H21H3t21242526+m0s1
MFCD18243057
ZINC000008742718
ZINC08742718
ZINC8742718
Check stock
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Check stock on Vitas-MAvailable files
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