Vitas-M small molecule compound
(1S,5S)-3-[3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL533987
SMILES O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)CCc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C
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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 C28H28N2O5 MW 472.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O5/c1-15-17(3)34-24-11-25-22(10-21(15)24)16(2)20(28(33)35-25)7-8-26(31)29-12-18-9-19(14-29)23-5-4-6-27(32)30(23)13-18/h4-6,10-11,18-19H,7-9,12-14H2,1-3H3/t18-,19+/m0/s1InChIKey
GLJOAUXGSXNZQQ-RBUKOAKNSA-NSynonyms
(1R5S)3(3(235trimethyl7oxo7Hfuro(32g)chromen6yl)propanoyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5S)3(3(235trimethyl7oxo7Hfuro(32g)chromen6yl)propanoyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
InChI=1SC28H28N2O5c11517(3)3424112522(1021(15)24)16(2)20(28(33)3525)7826(31)291218919(1429)2354627(32)30(23)1318h4610111819H791214H213H3t1819+m0s1
MFCD08283214
O=C(N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)CCc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C
ZINC000012890473
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