Vitas-M small molecule compound
(8xi,14xi,17xi,19E)-19-[(furan-2-ylmethyl)imino]-3,5,14-trihydroxycard-20(22)-enolide
Catalog ID
STL526120
SMILES O=C1OCC(=C1)C1CCC2([C@]1(C)CC[C@H]1C2CCC2([C@]1(/C=N/Cc1ccco1)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 C28H37NO6 MW 483.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H37NO6/c1-25-8-5-22-23(28(25,33)11-7-21(25)18-13-24(31)35-16-18)6-10-27(32)14-19(30)4-9-26(22,27)17-29-15-20-3-2-12-34-20/h2-3,12-13,17,19,21-23,30,32-33H,4-11,14-16H2,1H3/b29-17+/t19?,21?,22-,23?,25+,26-,27?,28?/m0/s1InChIKey
WXJZSOITXDMXEE-TZKNTRHOSA-NSynonyms
(8xi14xi17xi19E)19((furan2ylmethyl)imino)3514trihydroxycard20(22)enolide
4((3S5S8R9S10R13R14S17R)10((E)((furan2ylmethyl)imino)methyl)3514trihydroxy13methylhexadecahydro1Hcyclopenta(a)phenanthren17yl)furan2(5H)one
InChI=1SC28H37NO6c125852223(28(2533)11721(25)181324(31)351618)61027(32)1419(30)4926(2227)1729152032123420h23121317192123303233H4111416H21H3b2917+t19?21?2223?25+2627?28?m0s1
MFCD02925174
O=C1OCC(=C1)(C@H)1CC(C@)2((C@)1(C)CC(C@H)1(C@H)2CC(C@)2((C@)1(C=NCc1ccco1)CC(C@@H)(C2)O)O)O
ZINC001772492106
ZINC001772492109
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