Vitas-M small molecule compound
(6aS,6bR,9aS,10R)-10-[(4-bromophenyl)carbonyl]-8-(4-butoxyphenyl)-3-chloro-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Catalog ID
STK541283
SMILES CCCCOc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1ccc(c2)Cl)C(=O)c1ccc(cc1)Br
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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 C31H26BrClN2O4 MW 605.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26BrClN2O4/c1-2-3-16-39-23-12-10-22(11-13-23)34-30(37)26-25-14-6-19-17-21(33)9-15-24(19)35(25)28(27(26)31(34)38)29(36)18-4-7-20(32)8-5-18/h4-15,17,25-28H,2-3,16H2,1H3/t25-,26-,27-,28+/m0/s1InChIKey
MZLDARRZZFFQFG-LAJGZZDBSA-NSynonyms
(6aS6bR9aS10R)10((4bromophenyl)carbonyl)8(4butoxyphenyl)3chloro9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
(6aS6bR9aS10R)10(4bromobenzoyl)8(4butoxyphenyl)3chloro9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
CCCCOC1=CC=C(C=C1)N2C(=O)C3C4C=CC5=C(N4C(C3C2=O)C(=O)C6=CC=C(C=C6)Br)C=CC(=C5)Cl
CCCCOc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)(N1(C@H)2C=Cc2c1ccc(c2)Cl)C(=O)c1ccc(cc1)Br
InChI=1SC31H26BrClN2O4c123163923121022(111323)3430(37)2625146191721(33)91524(19)35(25)28(27(26)31(34)38)29(36)184720(32)8518h415172528H2316H21H3t25262728+m0s1
MFCD18241887
ZINC000102429559
ZINC102429559
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.