Vitas-M small molecule compound

methyl 4-(acetyloxy)-9-bromo-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
STK383415
SMILES CCCCC12C=CCN3C2C2(C(C(C1OC(=O)C)(O)C(=O)OC)N(c1c2cc(Br)c(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 C27H35BrN2O6 MW 563.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35BrN2O6/c1-6-7-9-25-10-8-12-30-13-11-26(21(25)30)17-14-18(28)20(34-4)15-19(17)29(3)22(26)27(33,24(32)35-5)23(25)36-16(2)31/h8,10,14-15,21-23,33H,6-7,9,11-13H2,1-5H3
InChIKey
UBKHVESCWPWKTO-UHFFFAOYSA-N
Synonyms

CCCCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)Br)OC)C
InChI=1SC27H35BrN2O6c1679251081230131126(21(25)30)171418(28)20(344)1519(17)29(3)22(26)27(3324(32)355)23(25)3616(2)31h8101415212333H6791113H215H3
methyl4(acetyloxy)9bromo3abutyl5hydroxy8methoxy6methyl3a455a6111213aoctahydro1Hindolizino(81cd)carbazole5carboxylate(nonpreferredname)
MFCD03835967
ZINC000239415249
ZINC000239415252

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Available files

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