Vitas-M small molecule compound
(3S,11E)-14,16-dihydroxy-3-methyl-7-[(2-phenylethyl)amino]-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one
Catalog ID
STL526099
SMILES C[C@H]1CCCC(CCC/C=C/c2c(C(=O)O1)c(O)cc(c2)O)NCCc1ccccc1
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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 C26H33NO4 MW 423.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO4/c1-19-9-8-14-22(27-16-15-20-10-4-2-5-11-20)13-7-3-6-12-21-17-23(28)18-24(29)25(21)26(30)31-19/h2,4-6,10-12,17-19,22,27-29H,3,7-9,13-16H2,1H3/b12-6+/t19-,22?/m0/s1InChIKey
IYSJJGZMQMNANX-LEOANALPSA-NSynonyms
(3S11E)1416dihydroxy3methyl7((2phenylethyl)amino)345678910octahydro1H2benzoxacyclotetradecin1one
(3S7SE)1416dihydroxy3methyl7(phenethylamino)345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin1onehydrochloride
(4~(S)12~(E))1618dihydroxy4methyl8(2phenylethylamino)3oxabicyclo(1240)octadeca1(14)121517tetraen2one
135639127
C(C@H)1CCC(C@H)(CCCC=Cc2c(C(=O)O1)c(O)cc(c2)O)NCCc1ccccc1Cl
InChI=1SC26H33NO4c119981422(27161520104251120)1373612211723(28)1824(29)25(21)26(30)3119h24610121719222729H3791316H21H3b126+t1922?m0s1
MFCD02925622
ZINC000254308135
ZINC001614466855
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