Vitas-M small molecule compound
(3S,3aS,4S,4aR,5S,7S,8R,9aS)-4-hydroxy-4a,8-dimethyl-2-oxo-3-((4-phenylpiperazin-1-yl)methyl)dodecahydroazuleno[6,5-b]furan-5,7-diyl diacetate
Catalog ID
STL524446
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)C1CN1CCN(CC1)c1ccccc1)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 C29H40N2O7 MW 528.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H40N2O7/c1-17-14-22-25(27(34)29(4)24(37-19(3)33)15-23(26(17)29)36-18(2)32)21(28(35)38-22)16-30-10-12-31(13-11-30)20-8-6-5-7-9-20/h5-9,17,21-27,34H,10-16H2,1-4H3/t17-,21?,22+,23+,24+,25-,26?,27+,29-/m1/s1InChIKey
CXQCZSXZJZQIFQ-JGPKYKDXSA-NSynonyms
1212494-41-1((3~(a)~(S)5~(R)6~(S)8~(S)8~(a)~(R)9~(S)9~(a)~(S))8acetyloxy9hydroxy58~(a)dimethyl2oxo1((4phenylpiperazin1yl)methyl)13~(a)455~(a)67899~(a)decahydroazuleno(65b)furan6yl)acetate
(3S3aS4S4aR5S7S8R9aS)4hydroxy4a8dimethyl2oxo3((4phenylpiperazin1yl)methyl)dodecahydroazuleno(65b)furan57diyldiacetate
1212494411
16395947
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)C1CN1CCN(CC1)c1ccccc1)OC(=O)C
InChI=1SC29H40N2O7c117142225(27(34)29(4)24(3719(3)33)1523(26(17)29)3618(2)32)21(28(35)3822)1630101231(131130)208657920h5917212734H1016H214H3t1721?22+23+24+2526?27+29m1s1
MFCD32649790
ZINC000070665714
ZINC000070665719
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.