Vitas-M small molecule compound
N-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}-4-oxobutanoyl)glutamic acid
Catalog ID
STL529032
SMILES O=C(NC(C(=O)O)CCC(=O)O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[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 C30H39NO11 MW 589.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H39NO11/c1-28-11-9-17(32)13-16(28)3-4-18-19-10-12-30(41,29(19,2)14-21(33)26(18)28)22(34)15-42-25(38)8-6-23(35)31-20(27(39)40)5-7-24(36)37/h9,11,13,18-21,26,33,41H,3-8,10,12,14-15H2,1-2H3,(H,31,35)(H,36,37)(H,39,40)/t18?,19?,20?,21?,26?,28-,29-InChIKey
YFNSCKARIFNYIQ-GZYRUBIVSA-NSynonyms
16403915
2((4(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo7891112141516octahydro6~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)pentanedioicacid
2(4(2((10R13S17R)1117dihydroxy1013dimethyl3oxo67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)pentanedioicacid
InChI=1SC30H39NO11c12811917(32)1316(28)341819101230(4129(192)1421(33)26(18)28)22(34)154225(38)8623(35)3120(27(39)40)5724(36)37h911131821263341H3810121415H212H3(H3135)(H3637)(H3940)t18?19?20?21?26?282930m0s1
MFCD05733369
N(4(((8xi9xi14xi)1117dihydroxy320dioxopregna14dien21yl)oxy)4oxobutanoyl)glutamicacid
O=C(NC(C(=O)O)CCC(=O)O)CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(O)C1C2CCC2=CC(=O)C=C(C@)12C
ZINC000070699646
ZINC000253506818
Check stock
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Check stock on Vitas-MAvailable files
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