Vitas-M small molecule compound
(8xi,9xi,14xi)-21-[(2-ethyl-3-hydroxy-6-methylpyridin-4-yl)amino]-17-hydroxypregn-4-ene-3,20-dione
Catalog ID
STL525416
SMILES CCc1nc(C)cc(c1O)NCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C
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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 C29H40N2O4 MW 480.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H40N2O4/c1-5-23-26(34)24(14-17(2)31-23)30-16-25(33)29(35)13-10-22-20-7-6-18-15-19(32)8-11-27(18,3)21(20)9-12-28(22,29)4/h14-15,20-22,34-35H,5-13,16H2,1-4H3,(H,30,31)/t20?,21?,22?,27-,28-,29-/m0/s1InChIKey
FOBHGICENKVURL-HJROXUHBSA-NSynonyms
(10~(R)13~(S)17~(R))17(2((2ethyl3hydroxy6methylpyridin4yl)amino)acetyl)17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3one
(10R13S17R)17(2((2ethyl3hydroxy6methylpyridin4yl)amino)acetyl)17hydroxy1013dimethyl67891011121314151617dodecahydro1Hcyclopenta(a)phenanthren3(2H)one
(8xi9xi14xi)21((2ethyl3hydroxy6methylpyridin4yl)amino)17hydroxypregn4ene320dione
16395536
CCc1nc(C)cc(c1O)NCC(=O)(C@@)1(O)CCC2(C@)1(C)CCC1C2CCC2=CC(=O)CC(C@)12C
InChI=1SC29H40N2O4c152326(34)24(1417(2)3123)301625(33)29(35)1310222076181519(32)81127(183)21(20)91228(2229)4h141520223435H51316H214H3(H3031)t20?21?22?272829m0s1
MFCD01545356
ZINC000008740072
ZINC000253499358
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