Vitas-M small molecule compound
(3beta,5beta,8xi,9xi,19E)-3,5,14-trihydroxy-19-(2-phenylhydrazinylidene)card-20(22)-enolide
Catalog ID
STL525240
SMILES O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)CCC1C2CC[C@]2([C@]1(/C=N/Nc1ccccc1)CC[C@@H](C2)O)O)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 C29H38N2O5 MW 494.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H38N2O5/c1-26-11-8-23-24(29(26,35)14-10-22(26)19-15-25(33)36-17-19)9-13-28(34)16-21(32)7-12-27(23,28)18-30-31-20-5-3-2-4-6-20/h2-6,15,18,21-24,31-32,34-35H,7-14,16-17H2,1H3/b30-18+/t21-,22+,23?,24?,26+,27-,28-,29-/m0/s1InChIKey
XQYWJIDANYBAFF-LSSNKSOUSA-NSynonyms
(3beta5beta8xi9xi19E)3514trihydroxy19(2phenylhydrazinylidene)card20(22)enolide
135639036
3((3~(S)5~(S)10~(R)13~(R)14~(S)17~(R))3514trihydroxy13methyl10((~(E))(phenylhydrazinylidene)methyl)23467891112151617dodecahydro1~(H)cyclopenta(a)phenanthren17yl)2~(H)furan5one
4((3S5S8R9S10R13R14S17R)3514trihydroxy13methyl10((E)(2phenylhydrazono)methyl)hexadecahydro1Hcyclopenta(a)phenanthren17yl)furan2(5H)one
InChI=1SC29H38N2O5c1261182324(29(2635)141022(26)191525(33)361719)91328(34)1621(32)71227(2328)183031205324620h261518212431323435H7141617H21H3b3018+t2122+23?24?26+272829m0s1
MFCD01547978
O=C1OCC(=C1)(C@H)1CC(C@)2((C@)1(C)CC(C@H)1(C@H)2CC(C@)2((C@)1(C=NNc1ccccc1)CC(C@@H)(C2)O)O)O
ZINC000012657724
ZINC001772491715
Check stock
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Check stock on Vitas-MAvailable files
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