Vitas-M small molecule compound
(1S,5R)-3-[(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL533891
SMILES O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1c(=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 C27H26N2O5 MW 458.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O5/c1-14-16(3)33-23-10-24-20(8-19(14)23)15(2)21(27(32)34-24)9-26(31)28-11-17-7-18(13-28)22-5-4-6-25(30)29(22)12-17/h4-6,8,10,17-18H,7,9,11-13H2,1-3H3/t17-,18+/m0/s1InChIKey
HEJIFLLJXSJXHE-ZWKOTPCHSA-NSynonyms
(1R5S)3(2(235trimethyl7oxo7Hfuro(32g)chromen6yl)acetyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3((235trimethyl7oxo7Hfuro(32g)chromen6yl)acetyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
InChI=1SC27H26N2O5c11416(3)3323102420(819(14)23)15(2)21(27(32)3424)926(31)281117718(1328)2254625(30)29(22)1217h468101718H791113H213H3t1718+m0s1
MFCD08283424
O=C(N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Cc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C
ZINC000008877364
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