Vitas-M small molecule compound

10-(2,2-dimethylpropanoyl)-8-(4-methoxyphenyl)-3,5-dimethyl-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione

Catalog ID
STL233533
SMILES COc1ccc(cc1)N1C(=O)C2C(C1=O)C(N1C2C=C(C)c2c1ccc(c2)C)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 C28H30N2O4 MW 458.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O4/c1-15-7-12-20-19(13-15)16(2)14-21-22-23(24(30(20)21)25(31)28(3,4)5)27(33)29(26(22)32)17-8-10-18(34-6)11-9-17/h7-14,21-24H,1-6H3
InChIKey
CJMQYTKMFGVVKA-UHFFFAOYSA-N
Synonyms

(6bR9aS10R)8(4methoxyphenyl)35dimethyl10pivaloyl9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
10(22dimethylpropanoyl)8(4methoxyphenyl)35dimethyl9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
CC1=CC2=C(C=C1)N3C(C=C2C)C4C(C3C(=O)C(C)(C)C)C(=O)N(C4=O)C5=CC=C(C=C5)OC
COc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)(N1C2C=C(C)c2c1ccc(c2)C)C(=O)C(C)(C)C
InChI=1SC28H30N2O4c1157122019(1315)16(2)14212223(24(30(20)21)25(31)28(34)5)27(33)29(26(22)32)1781018(346)11917h7142124H16H3
MFCD24858372
ZINC000002406233
ZINC000018022754

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Available files

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