Vitas-M small molecule compound
(6aS,6bR,9aS,10R)-3-chloro-10-(2,2-dimethylpropanoyl)-8-(4-methoxyphenyl)-5-methyl-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Catalog ID
STK558269
SMILES COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=C(C)c2c1ccc(c2)Cl)C(=O)C(C)(C)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 C27H27ClN2O4 MW 478.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27ClN2O4/c1-14-12-20-21-22(26(33)29(25(21)32)16-7-9-17(34-5)10-8-16)23(24(31)27(2,3)4)30(20)19-11-6-15(28)13-18(14)19/h6-13,20-23H,1-5H3/t20-,21-,22-,23+/m0/s1InChIKey
KCKGXIDIIIOLKE-CWBXHPNXSA-NSynonyms
1013770-92-7(6aS6bR9aS10R)3chloro10(22dimethylpropanoyl)8(4methoxyphenyl)5methyl9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
(6aS6bR9aS10R)3chloro8(4methoxyphenyl)5methyl10pivaloyl9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
1013770927
CC1=CC2C3C(C(N2C4=C1C=C(C=C4)Cl)C(=O)C(C)(C)C)C(=O)N(C3=O)C5=CC=C(C=C5)OC
COc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)(N1(C@H)2C=C(C)c2c1ccc(c2)Cl)C(=O)C(C)(C)C
InChI=1SC27H27ClN2O4c11412202122(26(33)29(25(21)32)167917(345)10816)23(24(31)27(23)4)30(20)1911615(28)1318(14)19h6132023H15H3t20212223+m0s1
MFCD18243074
ZINC000017748538
ZINC17748538
Check stock
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Check stock on Vitas-MAvailable files
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