Vitas-M small molecule compound
(8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl 4-oxo-4-[(pyridin-2-ylmethyl)amino]butanoate
Catalog ID
STL528172
SMILES O=C(NCc1ccccn1)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=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 C31H38N2O7 MW 550.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H38N2O7/c1-29-12-10-21(34)15-19(29)6-7-22-23-11-13-31(39,30(23,2)16-24(35)28(22)29)25(36)18-40-27(38)9-8-26(37)33-17-20-5-3-4-14-32-20/h3-5,14-15,22-23,28,39H,6-13,16-18H2,1-2H3,(H,33,37)/t22?,23?,28?,29-,30-,31-/m0/s1InChIKey
FMOXCQOMNBSXEL-PLJKWBCJSA-NSynonyms
(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl311dioxo12678912141516decahydrocyclopenta(a)phenanthren17yl)2oxoethyl)4oxo4(pyridin2ylmethylamino)butanoate
(8xi9xi14xi)17hydroxy31120trioxopregn4en21yl4oxo4((pyridin2ylmethyl)amino)butanoate
2((8S9S10R13S14S17R)17hydroxy1013dimethyl311dioxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl4oxo4((pyridin2ylmethyl)amino)butanoate
44664189
InChI=1SC31H38N2O7c129121021(34)1519(29)672223111331(3930(232)1624(35)28(22)29)25(36)184027(38)9826(37)331720534143220h35141522232839H6131618H212H3(H3337)t22?23?28?293031m0s1
MFCD03849892
O=C(NCc1ccccn1)CCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)CC(=O)(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C
ZINC000253502454
ZINC000253502464
Check stock
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Check stock on Vitas-MAvailable files
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