Vitas-M small molecule compound
(3S,11E)-14,16-dimethoxy-3-methyl-7-[(2-phenylethyl)amino]-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one
Catalog ID
STL537737
SMILES COc1cc2/C=C/CCCC(CCC[C@@H](OC(=O)c2c(c1)OC)C)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 C28H37NO4 MW 451.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H37NO4/c1-21-11-10-16-24(29-18-17-22-12-6-4-7-13-22)15-9-5-8-14-23-19-25(31-2)20-26(32-3)27(23)28(30)33-21/h4,6-8,12-14,19-21,24,29H,5,9-11,15-18H2,1-3H3/b14-8+/t21-,24?/m0/s1InChIKey
KMRHQMFLUGSDOX-OHLVZALKSA-NSynonyms
(3S11E)1416dimethoxy3methyl7((2phenylethyl)amino)345678910octahydro1H2benzoxacyclotetradecin1one
(3SE)1416dimethoxy3methyl7(phenethylamino)345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin1one
(4~(S)12~(E))1618dimethoxy4methyl8(2phenylethylamino)3oxabicyclo(1240)octadeca1(14)121517tetraen2one
16405541
COc1cc2C=CCCCC(CCC(C@@H)(OC(=O)c2c(c1)OC)C)NCCc1ccccc1
InChI=1SC28H37NO4c12111101624(29181722126471322)1595814231925(312)2026(323)27(23)28(30)3321h468121419212429H59111518H213H3b148+t2124?m0s1
MFCD03802099
ZINC000254737000
ZINC000254737003
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