Vitas-M small molecule compound
(8xi,9xi,14xi,16alpha,17xi)-16-methyl-3-{[3-(morpholin-4-ium-4-yl)propanoyl]oxy}-20-oxopregn-5-ene
Catalog ID
STL553175
SMILES O=C(OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3C[C@H](C2C(=O)C)C)C)C1)C)CC[NH+]1CCOCC1
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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 C29H46NO4 MW 472.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H45NO4/c1-19-17-25-23-6-5-21-18-22(34-26(32)9-12-30-13-15-33-16-14-30)7-10-28(21,3)24(23)8-11-29(25,4)27(19)20(2)31/h5,19,22-25,27H,6-18H2,1-4H3/p+1/t19-,22?,23?,24?,25?,27?,28+,29+/m1/s1InChIKey
AGJMWDANXUULDD-DVCHSZASSA-OSynonyms
((10~(R)13~(S)16~(R))17acetyl101316trimethyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)3morpholin4ium4ylpropanoate
(8xi9xi14xi16alpha17xi)16methyl3((3(morpholin4ium4yl)propanoyl)oxy)20oxopregn5ene
135640890
InChI=1SC29H45NO4c11917252365211822(3426(32)91230131533161430)71028(213)24(23)81129(254)27(19)20(2)31h519222527H618H214H3p+1t1922?23?24?25?27?28+29+m1s1
ZINC000020411036
ZINC000253503840
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