Vitas-M small molecule compound
(6aS,6bR,9aS,10R)-8-(1,3-benzodioxol-5-yl)-10-[(3-bromo-4-methoxyphenyl)carbonyl]-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Catalog ID
STK548010
SMILES COc1ccc(cc1Br)C(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc3c(c1)OCO3)C=Cc1c2cccc1
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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 C29H21BrN2O6 MW 573.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21BrN2O6/c1-36-21-10-7-16(12-18(21)30)27(33)26-25-24(20-9-6-15-4-2-3-5-19(15)32(20)26)28(34)31(29(25)35)17-8-11-22-23(13-17)38-14-37-22/h2-13,20,24-26H,14H2,1H3/t20-,24-,25-,26+/m0/s1InChIKey
NCQGEQGVGUUZIG-PCWWUVHHSA-NSynonyms
(6aS6bR9aS10R)8(13benzodioxol5yl)10((3bromo4methoxyphenyl)carbonyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
(6aS6bR9aS10R)8(benzo(d)(13)dioxol5yl)10(3bromo4methoxybenzoyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
COC1=C(C=C(C=C1)C(=O)C2C3C(C4N2C5=CC=CC=C5C=C4)C(=O)N(C3=O)C6=CC7=C(C=C6)OCO7)Br
COc1ccc(cc1Br)C(=O)(C@@H)1N2(C@H)((C@H)3(C@@H)1C(=O)N(C3=O)c1ccc3c(c1)OCO3)C=Cc1c2cccc1
InChI=1SC29H21BrN2O6c1362110716(1218(21)30)27(33)262524(209615423519(15)32(20)26)28(34)31(29(25)35)178112223(1317)38143722h213202426H14H21H3t20242526+m0s1
MFCD18242390
ZINC000102449469
ZINC102449469
Check stock
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Check stock on Vitas-MAvailable files
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