Vitas-M small molecule compound

methyl 4-(acetyloxy)-3a-butyl-5-hydroxy-8-methoxy-6-methyl-3a,4,5,5a,6,11,12,13a-octahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate (non-preferred name)

Catalog ID
STK383414
SMILES CCCCC12C=CCN3C2C2(C(C(C1OC(=O)C)(O)C(=O)OC)N(c1c2ccc(c1)OC)C)CC3

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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 C27H36N2O6 MW 484.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36N2O6/c1-6-7-11-25-12-8-14-29-15-13-26(21(25)29)19-10-9-18(33-4)16-20(19)28(3)22(26)27(32,24(31)34-5)23(25)35-17(2)30/h8-10,12,16,21-23,32H,6-7,11,13-15H2,1-5H3
InChIKey
VIYXAYCNUJJQSP-UHFFFAOYSA-N
Synonyms

CCCCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)C)(C(=O)OC)O)N(C5=C4C=CC(=C5)OC)C
InChI=1SC27H36N2O6c16711251281429151326(21(25)29)1910918(334)1620(19)28(3)22(26)27(3224(31)345)23(25)3517(2)30h8101216212332H67111315H215H3
methyl4(acetyloxy)3abutyl5hydroxy8methoxy6methyl3a455a6111213aoctahydro1Hindolizino(81cd)carbazole5carboxylate(nonpreferredname)
MFCD03835966
ZINC000239425838
ZINC000239425841

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.