Vitas-M small molecule compound
3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3a,5,8a-trimethyl-5-(4-methylpent-3-en-1-yl)hexahydrooxepino[2,3-d][1,3]oxazol-2(3H)-one
Catalog ID
STK784010
SMILES COc1ccc2c(c1)c(CCN1C(=O)OC3(C1(C)OC(C)(CCC3)CCC=C(C)C)C)c[nH]2
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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 C27H38N2O4 MW 454.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H38N2O4/c1-19(2)9-7-13-25(3)14-8-15-26(4)27(5,33-25)29(24(30)32-26)16-12-20-18-28-23-11-10-21(31-6)17-22(20)23/h9-11,17-18,28H,7-8,12-16H2,1-6H3InChIKey
BUTUMPYYCCFCIX-UHFFFAOYSA-NSynonyms
3(2(5methoxy1Hindol3yl)ethyl)3a58atrimethyl5(4methylpent3en1yl)hexahydrooxepino(23d)(13)oxazol2(3H)one
3(2(5METHOXY1HINDOL3YL)ETHYL)3A58ATRIMETHYL5(4METHYLPENT3ENYL)78DIHYDRO6HOXEPINO(23D)(13)OXAZOL2ONE
CC(=CCCC1(CCCC2(C(O1)(N(C(=O)O2)CCC3=CNC4=C3C=C(C=C4)OC)C)C)C)C
COc1ccc2c(c1)c(CCN1C(=O)OC3(C1(C)OC(C)(CCC3)CCC=C(C)C)C)c(nH)2
InChI=1SC27H38N2O4c119(2)971325(3)1481526(4)27(53325)29(24(30)3226)161220182823111021(316)1722(20)23h911171828H781216H216H3
MFCD06619333
ZINC000012363897
ZINC000248151665
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