Vitas-M small molecule compound
(19E)-3,5,14-trihydroxy-19-{[2-(morpholin-4-yl)ethyl]imino}card-20(22)-enolide
Catalog ID
STL511036
SMILES OC1CCC2(C(C1)(O)CCC1C2CCC2(C1(O)CCC2C1=CC(=O)OC1)C)/C=N/CCN1CCOCC1
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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 C29H44N2O6 MW 516.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H44N2O6/c1-26-6-3-23-24(29(26,35)9-5-22(26)20-16-25(33)37-18-20)4-8-28(34)17-21(32)2-7-27(23,28)19-30-10-11-31-12-14-36-15-13-31/h16,19,21-24,32,34-35H,2-15,17-18H2,1H3/b30-19+InChIKey
BKFYIZLRTHFTNH-NDZAJKAJSA-NSynonyms
(19E)3514trihydroxy19((2(morpholin4yl)ethyl)imino)card20(22)enolide
4((3S5S8R9S10R13R14S17R)3514trihydroxy13methyl10((E)((2morpholinoethyl)imino)methyl)hexadecahydro1Hcyclopenta(a)phenanthren17yl)furan2(5H)one
InChI=1SC29H44N2O6c126632324(29(2635)9522(26)201625(33)371820)4828(34)1721(32)2727(2328)1930101131121436151331h16192124323435H2151718H21H3b3019+
MFCD31750885
O(C@H)1CC(C@)2((C@)(C1)(O)CC(C@@H)1(C@@H)2CC(C@)2((C@)1(O)CC(C@@H)2C1=CC(=O)OC1)C)C=NCCN1CCOCC1
ZINC000253498158
ZINC001614467817
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