Vitas-M small molecule compound
(8xi,14xi,17xi,19E)-3-[(2,6-dideoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-[(pyridin-4-ylmethyl)imino]card-20(22)-enolide
Catalog ID
STL526358
SMILES O=C1OCC(=C1)C1CCC2([C@]1(C)CC[C@H]1C2CCC2([C@]1(/C=N/Cc1ccncc1)CCC(C2)OC1CC(O)C(C(O1)C)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 C35H48N2O8 MW 624.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H48N2O8/c1-21-31(40)28(38)16-30(44-21)45-24-3-10-33(20-37-18-22-7-13-36-14-8-22)26-4-9-32(2)25(23-15-29(39)43-19-23)6-12-35(32,42)27(26)5-11-34(33,41)17-24/h7-8,13-15,20-21,24-28,30-31,38,40-42H,3-6,9-12,16-19H2,1-2H3/b37-20+/t21?,24?,25?,26-,InChIKey
INXTZNZYPHZPHA-MMXMVZDUSA-NSynonyms
(8xi14xi17xi19E)3((26dideoxyhexopyranosyl)oxy)514dihydroxy19((pyridin4ylmethyl)imino)card20(22)enolide
4((3S5S8R9S10R13R14S17R)3((45dihydroxy6methyltetrahydro2Hpyran2yl)oxy)514dihydroxy13methyl10((E)((pyridin4ylmethyl)imino)methyl)hexadecahydro1Hcyclopenta(a)phenanthren17yl)furan2(5H)one
InChI=1SC35H48N2O8c12131(40)28(38)1630(4421)452431033(203718227133614822)264932(2)25(231529(39)431923)61235(3242)27(26)51134(3341)1724h781315202124283031384042H369121619H212H3b3720+t21?24?25?2627?28?30?31?32+3334?35?m0s1
MFCD02925195
O=C1OCC(=C1)(C@H)1CC(C@)2((C@)1(C)CC(C@H)1(C@H)2CC(C@)2((C@)1(C=NCc1ccncc1)CC(C@@H)(C2)OC1CC(O)C(C(O1)C)O)O)O
ZINC001772492038
ZINC001772492041
Check stock
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Check stock on Vitas-MAvailable files
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