Vitas-M small molecule compound
(8xi,14xi,17xi,19E)-19-(benzylimino)-3,5,14-trihydroxycard-20(22)-enolide
Catalog ID
STL524970
SMILES O=C1OCC(=C1)C1CCC2([C@]1(C)CC[C@H]1C2CCC2([C@]1(/C=N/Cc1ccccc1)CCC(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 C30H39NO5 MW 493.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H39NO5/c1-27-11-8-24-25(30(27,35)14-10-23(27)21-15-26(33)36-18-21)9-13-29(34)16-22(32)7-12-28(24,29)19-31-17-20-5-3-2-4-6-20/h2-6,15,19,22-25,32,34-35H,7-14,16-18H2,1H3/b31-19+/t22?,23?,24-,25?,27+,28-,29?,30?/m0/s1InChIKey
XHCMFPDIAHSYCE-AVFYLUOMSA-NSynonyms
(8xi14xi17xi19E)19(benzylimino)3514trihydroxycard20(22)enolide
4((3S5S8R9S10R13R14S17R)10((E)(benzylimino)methyl)3514trihydroxy13methylhexadecahydro1Hcyclopenta(a)phenanthren17yl)furan2(5H)one
InChI=1SC30H39NO5c1271182425(30(2735)141023(27)211526(33)361821)91329(34)1622(32)71228(2429)193117205324620h2615192225323435H7141618H21H3b3119+t22?23?2425?27+2829?30?m0s1
MFCD01544149
O=C1OCC(=C1)(C@H)1CC(C@)2((C@)1(C)CC(C@H)1(C@H)2CC(C@)2((C@)1(C=NCc1ccccc1)CC(C@@H)(C2)O)O)O
ZINC001772491709
ZINC001772491712
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