Vitas-M small molecule compound

(8xi,14xi,17xi,19E)-3,5,14-trihydroxy-19-{[2-(piperidin-1-yl)ethyl]imino}card-20(22)-enolide

Catalog ID
STL526413
SMILES OC1CC[C@]2(C(C1)(O)CCC1[C@@H]2CC[C@]2(C1(O)CCC2C1=CC(=O)OC1)C)/C=N/CCN1CCCCC1

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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 C30H46N2O5 MW 514.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H46N2O5/c1-27-9-6-24-25(30(27,36)12-8-23(27)21-17-26(34)37-19-21)7-11-29(35)18-22(33)5-10-28(24,29)20-31-13-16-32-14-3-2-4-15-32/h17,20,22-25,33,35-36H,2-16,18-19H2,1H3/b31-20+/t22?,23?,24-,25?,27+,28-,29?,30?/m0/s1
InChIKey
SAOIEZMVCXDDFC-MBTFTBBESA-N
Synonyms

(8xi14xi17xi19E)3514trihydroxy19((2(piperidin1yl)ethyl)imino)card20(22)enolide
4((3S5S8R9S10R13R14S17R)3514trihydroxy13methyl10((E)((2(piperidin1yl)ethyl)imino)methyl)hexadecahydro1Hcyclopenta(a)phenanthren17yl)furan2(5H)one
InChI=1SC30H46N2O5c127962425(30(2736)12823(27)211726(34)371921)71129(35)1822(33)51028(2429)2031131632143241532h17202225333536H2161819H21H3b3120+t22?23?2425?27+2829?30?m0s1
MFCD02925765
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=NCCN1CCCCC1
ZINC001772492468
ZINC001772492471

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Available files

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