Vitas-M small molecule compound

(8S,8aR,11aS,11bS)-10-cyclohexyl-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione

Catalog ID
STK556968
SMILES O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)C1CCCCC1)c1ccccc1

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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 C27H26N2O3 MW 426.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O3/c30-25(18-10-3-1-4-11-18)24-22-21(23-20-14-8-7-9-17(20)15-16-28(23)24)26(31)29(27(22)32)19-12-5-2-6-13-19/h1,3-4,7-11,14-16,19,21-24H,2,5-6,12-13H2/t21-,22+,23+,24-/m0/s1
InChIKey
RFXOJHQVLYXJDW-KEZOAJOQSA-N
Synonyms
1013823-04-5
(8S8aR11aS11bS)10cyclohexyl8(phenylcarbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS11bS)8benzoyl10cyclohexyl11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
1013823045
C1CCC(CC1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC=CC=C6
InChI=1SC27H26N2O3c3025(18103141118)242221(23201487917(20)151628(23)24)26(31)29(27(22)32)19125261319h1347111416192124H2561213H2t2122+23+24m0s1
MFCD18242970
O=C((C@@H)1(C@@H)2C(=O)N(C(=O)(C@@H)2(C@@H)2N1C=Cc1c2cccc1)C1CCCCC1)c1ccccc1
ZINC000009424178
ZINC9424178

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Available files

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