Vitas-M small molecule compound
N-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)isoleucine
Catalog ID
STL528246
SMILES CCC(C(C(=O)O)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C)C
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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 C31H45NO9 MW 575.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H45NO9/c1-5-17(2)27(28(38)39)32-24(36)8-9-25(37)41-16-23(35)31(40)13-11-21-20-7-6-18-14-19(33)10-12-29(18,3)26(20)22(34)15-30(21,31)4/h14,17,20-22,26-27,34,40H,5-13,15-16H2,1-4H3,(H,32,36)(H,38,39)/t17?,20?,21?,22?,26?,27?,29-,30-,31-/m0/s1InChIKey
MMWQEYZXQLVYHN-CFTJCWDFSA-NSynonyms
2((4(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)3methylpentanoicacid
2(4(2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)3methylpentanoicacid
44663984
CCC(C(C(=O)O)NC(=O)CCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)C(C@H)(O)(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C)C
InChI=1SC31H45NO9c1517(2)27(28(38)39)3224(36)8925(37)411623(35)31(40)1311212076181419(33)101229(183)26(20)22(34)1530(2131)4h1417202226273440H5131516H214H3(H3236)(H3839)t17?20?21?22?26?27?293031m0s1
MFCD03849930
N(4(((8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)isoleucine
ZINC000253503418
ZINC000253503426
Check stock
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