Vitas-M small molecule compound

(3S,7E)-7-(hydroxyimino)-14,16-dimethoxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-1-one

Catalog ID
STL526319
SMILES O/N=C/1\CCCCCc2cc(OC)cc(c2C(=O)O[C@H](CCC1)C)OC

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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 C20H29NO5 MW 363.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H29NO5/c1-14-8-7-11-16(21-23)10-6-4-5-9-15-12-17(24-2)13-18(25-3)19(15)20(22)26-14/h12-14,23H,4-11H2,1-3H3/b21-16+/t14-/m0/s1
InChIKey
QMUJDFDWPWITAS-IKBYJFNHSA-N
Synonyms

(3S7E)7(hydroxyimino)1416dimethoxy3methyl3456789101112decahydro1H2benzoxacyclotetradecin1one
(4~(S)8~(E))8hydroxyimino1618dimethoxy4methyl3oxabicyclo(1240)octadeca1(14)1517trien2one
(SE)7(hydroxyimino)1416dimethoxy3methyl3456789101112decahydro1Hbenzo(c)(1)oxacyclotetradecin1one
9691830
InChI=1SC20H29NO5c114871116(2123)106459151217(242)1318(253)19(15)20(22)2614h121423H411H213H3b2116+t14m0s1
MFCD01546857
ON=C1CCCCCc2cc(OC)cc(c2C(=O)O(C@H)(CCC1)C)OC
ZINC000004026337

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Available files

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