Vitas-M small molecule compound

N-[(11S)-1,2,3,4,5,6,7,8,9,10-decahydro-5,9-methanobenzo[8]annulen-11-yl]-3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)propanamide

Catalog ID
STL549667
SMILES COc1cc(ccc1O)C(c1oc(C)cc(=O)c1O)CC(=O)N[C@H]1C2CCCC1C1=C(C2)CCCC1

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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 C29H35NO6 MW 493.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35NO6/c1-16-12-24(32)28(34)29(36-16)22(18-10-11-23(31)25(14-18)35-2)15-26(33)30-27-19-7-5-9-21(27)20-8-4-3-6-17(20)13-19/h10-12,14,19,21-22,27,31,34H,3-9,13,15H2,1-2H3,(H,30,33)/t19?,21?,22?,27-/m0/s1
InChIKey
FNIXRKBZHCBODQ-RXTZNKIHSA-N
Synonyms

127254049
3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxopyran2yl)~(N)((13~(S))13tricyclo(7310^(27))tridec2(7)enyl)propanamide
COc1cc(ccc1O)C(c1oc(C)cc(=O)c1O)CC(=O)N(C@H)1C2CCCC1C1=C(C2)CCCC1
InChI=1SC29H35NO6c1161224(32)28(34)29(3616)22(18101123(31)25(1418)352)1526(33)30271975921(27)20843617(20)1319h101214192122273134H391315H212H3(H3033)t19?21?22?27m0s1
N((11S)12345678910decahydro59methanobenzo(8)annulen11yl)3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxo4Hpyran2yl)propanamide
ZINC000604406298
ZINC000604406299

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Available files

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