Vitas-M small molecule compound
N-(4-{[(8xi,9xi,14xi)-17-(acetyloxy)-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)aspartic acid
Catalog ID
STL528087
SMILES O=C(NC(C(=O)O)CC(=O)O)CCC(=O)OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)OC(=O)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 C31H41NO11 MW 603.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H41NO11/c1-17(33)43-31(24(35)16-42-27(39)7-6-25(36)32-23(28(40)41)15-26(37)38)13-10-22-20-5-4-18-14-19(34)8-11-29(18,2)21(20)9-12-30(22,31)3/h14,20-23H,4-13,15-16H2,1-3H3,(H,32,36)(H,37,38)(H,40,41)/t20?,21?,22?,23?,29-,30-,31-/m0/s1InChIKey
RBWQCFLZMDHLPU-XZZILWOTSA-NSynonyms
2((4(2((10~(R)13~(S)17~(R))17acetyloxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)butanedioicacid
2(4(2((8R9S10R13S14S17R)17acetoxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)succinicacid
44661375
InChI=1SC31H41NO11c117(33)4331(24(35)164227(39)7625(36)3223(28(40)41)1526(37)38)1310222054181419(34)81129(182)21(20)91230(2231)3h142023H4131516H213H3(H3236)(H3738)(H4041)t20?21?22?23?293031m0s1
MFCD03849919
N(4(((8xi9xi14xi)17(acetyloxy)320dioxopregn4en21yl)oxy)4oxobutanoyl)asparticacid
O=C(NC(C(=O)O)CC(=O)O)CCC(=O)OCC(=O)(C@)1(CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C)OC(=O)C
ZINC000253522775
ZINC000253522778
Check stock
See real-time availability and sample size for STL528087 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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