Vitas-M small molecule compound
N-(4-oxo-4-{[(8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl]oxy}butanoyl)leucine
Catalog ID
STL541146
SMILES CC(CC(C(=O)O)NC(=O)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=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 C29H43NO6 MW 501.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H43NO6/c1-17(2)15-23(27(34)35)30-25(32)9-10-26(33)36-24-8-7-21-20-6-5-18-16-19(31)11-13-28(18,3)22(20)12-14-29(21,24)4/h16-17,20-24H,5-15H2,1-4H3,(H,30,32)(H,34,35)/t20?,21?,22?,23?,24?,28-,29-/m0/s1InChIKey
LTTOESVXABLSII-ZAXRVODQSA-NSynonyms
16398136
2((4(((10~(R)13~(S))1013dimethyl3oxo126789111214151617dodecahydrocyclopenta(a)phenanthren17yl)oxy)4oxobutanoyl)amino)4methylpentanoicacid
2(4(((10R13S)1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)oxy)4oxobutanamido)4methylpentanoicacid
CC(CC(C(=O)O)NC(=O)CCC(=O)OC1CCC2(C@)1(C)CCC1C2CCC2=CC(=O)CC(C@)12C)C
InChI=1SC29H43NO6c117(2)1523(27(34)35)3025(32)91026(33)362487212065181619(31)111328(183)22(20)121429(2124)4h16172024H515H214H3(H3032)(H3435)t20?21?22?23?24?2829m0s1
MFCD03660513
N(4oxo4(((8xi9xi14xi)3oxoandrost4en17yl)oxy)butanoyl)leucine
ZINC000002140501
ZINC000253499642
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