Vitas-M small molecule compound
4,4'-(pentane-1,5-diylbis{nitrilo(E)methylylidene[(9S,10R,13R,17S)-3,5,14-trihydroxy-13-methylhexadecahydro-10H-cyclopenta[a]phenanthrene-10,17-diyl]})difuran-2(5H)-one (non-preferred name)
Catalog ID
STL527590
SMILES OC1CC[C@]2(C(C1)(O)CCC1[C@@H]2CC[C@]2(C1(O)CC[C@H]2C1=CC(=O)OC1)C)/C=N/CCCCC/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CC[C@H]1C1=CC(=O)OC1)C)O
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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 C51H74N2O10 MW 875.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C51H74N2O10/c1-44-14-8-38-40(50(44,60)20-12-36(44)32-24-42(56)62-28-32)10-18-48(58)26-34(54)6-16-46(38,48)30-52-22-4-3-5-23-53-31-47-17-7-35(55)27-49(47,59)19-11-41-39(47)9-15-45(2)37(13-21-51(41,45)61)33-25-43(57)63-29-33/h24-25,30-31,34-41,54-5InChIKey
SGEXZXVMJBVAKD-SNYGARPLSA-NSynonyms
44(pentane15diylbis(nitrilo(E)methylylidene((9S10R13R17S)3514trihydroxy13methylhexadecahydro10Hcyclopenta(a)phenanthrene1017diyl)))difuran2(5H)one(nonpreferredname)
InChI=1SC51H74N2O10c1441483840(50(4460)201236(44)322442(56)622832)101848(58)2634(54)61646(3848)3052224352353314717735(55)2749(4759)19114139(47)91545(2)37(132151(4145)61)332543(57)632933h24253031344154555861H3232629H212H3b5230+5331+t34?35?3637383940?4
MFCD03661475
O(C@H)1CC(C@)2((C@)(C1)(O)CC(C@@H)1(C@@H)2CC(C@)2((C@)1(O)CC(C@@H)2C1=CC(=O)OC1)C)C=NCCCCCN=C(C@@)12CC(C@@H)(C(C@@)2(O)CC(C@@H)2(C@@H)1CC(C@)1((C@)2(O)CC(C@@H)1C1=CC(=O)OC1)C)O
ZINC000253501945
ZINC000253501953
Check stock
See real-time availability and sample size for STL527590 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.