Vitas-M small molecule compound

3-hydroxy-2-[1-(7-methoxy-1,3-benzodioxol-5-yl)-3-oxo-3-(1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)propyl]-6-(methoxymethyl)-4H-pyran-4-one

Catalog ID
STL545039
SMILES COCc1cc(=O)c(c(o1)C(c1cc(OC)c2c(c1)OCO2)CC(=O)N1CCc2c(C1)[nH]c1c2cccc1)O

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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 C29H28N2O8 MW 532.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O8/c1-35-14-17-11-23(32)27(34)28(39-17)20(16-9-24(36-2)29-25(10-16)37-15-38-29)12-26(33)31-8-7-19-18-5-3-4-6-21(18)30-22(19)13-31/h3-6,9-11,20,30,34H,7-8,12-15H2,1-2H3
InChIKey
SZKGMSHWFCXSIS-UHFFFAOYSA-N
Synonyms
1630836-13-3
1630836133
2(3(34DIHYDRO1HPYRIDO(34B)INDOL2(9H)YL)1(7METHOXYBENZO(D)(13)DIOXOL5YL)3OXOPROPYL)3HYDROXY6(METHOXYMETHYL)4HPYRAN4ONE
3hydroxy2(1(7methoxy13benzodioxol5yl)3oxo3(1349tetrahydro2Hbetacarbolin2yl)propyl)6(methoxymethyl)4Hpyran4one
3hydroxy2(1(7methoxy13benzodioxol5yl)3oxo3(1349tetrahydropyrido(34b)indol2yl)propyl)6(methoxymethyl)pyran4one
91636682
COCc1cc(=O)c(c(o1)C(c1cc(OC)c2c(c1)OCO2)CC(=O)N1CCc2c(C1)(nH)c1c2cccc1)O
InChI=1SC29H28N2O8c13514171123(32)27(34)28(3917)20(16924(362)2925(1016)37153829)1226(33)31871918534621(18)3022(19)1331h36911203034H781215H212H3
MFCD28348866
ZINC000217628561
ZINC000217628646

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Available files

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