Vitas-M small molecule compound

(3S,3aS,4S,4aR,5S,7S,8R,9aS)-4-hydroxy-4a,8-dimethyl-2-oxo-3-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)dodecahydroazuleno[6,5-b]furan-5,7-diyl diacetate

Catalog ID
STL566322
SMILES CC(=O)O[C@H]1C[C@@H](C2[C@]1(C)[C@@H](O)[C@H]1[C@H](C[C@H]2C)OC(=O)C1CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)OC(=O)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 C30H40N2O8 MW 556.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H40N2O8/c1-15-8-22-26(28(36)30(4)24(39-17(3)34)10-23(27(15)30)38-16(2)33)20(29(37)40-22)14-31-11-18-9-19(13-31)21-6-5-7-25(35)32(21)12-18/h5-7,15,18-20,22-24,26-28,36H,8-14H2,1-4H3/t15-,18+,19-,20?,22+,23+,24+,26-,27?,28+,30-/m1/s1
InChIKey
XNZOOKULEFZSKF-RIXVLSMCSA-N
Synonyms

(3S3aS4S4aR5S7S8R9aS)4hydroxy4a8dimethyl2oxo3(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)dodecahydroazuleno(65b)furan57diyldiacetate
CC(=O)O(C@H)1C(C@@H)(C2(C@)1(C)(C@@H)(O)(C@H)1(C@H)(C(C@H)2C)OC(=O)C1CN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)OC(=O)C
MFCD01547909
ZINC000070665981
ZINC000070665984

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Available files

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