Vitas-M small molecule compound
(8xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-[(3-hydroxypropyl)imino]card-20(22)-enolide
Catalog ID
STL526121
SMILES OCCC/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CCC1C1=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 C26H39NO6 MW 461.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H39NO6/c1-23-7-4-20-21(26(23,32)10-6-19(23)17-13-22(30)33-15-17)5-9-25(31)14-18(29)3-8-24(20,25)16-27-11-2-12-28/h13,16,18-21,28-29,31-32H,2-12,14-15H2,1H3/b27-16+/t18?,19?,20-,21?,23+,24-,25?,26?/m0/s1InChIKey
ZPYOXVKJNQBTTC-SEGAOGKQSA-NSynonyms
(8xi14xi17xi19E)3514trihydroxy19((3hydroxypropyl)imino)card20(22)enolide
4((3S5S8R9S10R13R14S17R)3514trihydroxy10((E)((3hydroxypropyl)imino)methyl)13methylhexadecahydro1Hcyclopenta(a)phenanthren17yl)furan2(5H)one
InChI=1SC26H39NO6c123742021(26(2332)10619(23)171322(30)331517)5925(31)1418(29)3824(2025)16271121228h1316182128293132H2121415H21H3b2716+t18?19?2021?23+2425?26?m0s1
MFCD02925946
OCCCN=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
ZINC001772492125
ZINC001772492128
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