Vitas-M small molecule compound

methyl (2xi,4beta,5alpha,19xi)-4-(acetyloxy)-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate

Catalog ID
STK368477
SMILES COC(=O)[C@@]1(O)[C@H](OC(=O)C)[C@]2(CC)C=CCN3C2C2(C1N(C)c1c2ccc(c1)OC)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 C25H32N2O6 MW 456.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N2O6/c1-6-23-10-7-12-27-13-11-24(19(23)27)17-9-8-16(31-4)14-18(17)26(3)20(24)25(30,22(29)32-5)21(23)33-15(2)28/h7-10,14,19-21,30H,6,11-13H2,1-5H3/t19?,20?,21-,23-,24?,25+/m1/s1
InChIKey
CXBGOBGJHGGWIE-XQQCFKJWSA-N
Synonyms

(3a1R4R5S5aR10bR)methyl4acetoxy3aethyl5hydroxy8methoxy6methyl3a3a1455a61112octahydro1Hindolizino(81cd)carbazole5carboxylate
COC(=O)(C@@)1(O)(C@H)(OC(=O)C)(C@)2(CC)C=CCN3C2C2(C1N(C)c1c2ccc(c1)OC)CC3
COC(=O)(C@@)1(O)(C@H)(OC(=O)C)C2(CC)C=CCN3(C@@H)2(C@@)2((C@H)1N(C)c1c2ccc(c1)OC)CC3
methyl(2xi4beta5alpha19xi)4(acetyloxy)3hydroxy16methoxy1methyl67didehydroaspidospermidine3carboxylate
MFCD02602471
ZINC000013361479
ZINC000034036632
ZINC000169762663
ZINC000245325192

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Available files

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