Vitas-M small molecule compound
N-(4-oxo-4-{[(5alpha,8xi,9xi,14xi)-3-oxoandrostan-17-yl]oxy}butanoyl)tryptophan
Catalog ID
STL537627
SMILES O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)CCC(=O)OC1CCC2[C@]1(C)CCC1C2CC[C@@H]2[C@]1(C)CCC(=O)C2
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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 C34H44N2O6 MW 576.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H44N2O6/c1-33-15-13-22(37)18-21(33)7-8-24-25-9-10-29(34(25,2)16-14-26(24)33)42-31(39)12-11-30(38)36-28(32(40)41)17-20-19-35-27-6-4-3-5-23(20)27/h3-6,19,21,24-26,28-29,35H,7-18H2,1-2H3,(H,36,38)(H,40,41)/t21-,24?,25?,26?,28?,29?,33-,34-/m0/s1InChIKey
ATIQTHDLWUOXDT-LZEHKZPPSA-NSynonyms
16404133
2((4(((5~(S)10~(S)13~(S))1013dimethyl3oxo12456789111214151617tetradecahydrocyclopenta(a)phenanthren17yl)oxy)4oxobutanoyl)amino)3(1~(H)indol3yl)propanoicacid
2(4(((5S10S13S)1013dimethyl3oxohexadecahydro1Hcyclopenta(a)phenanthren17yl)oxy)4oxobutanamido)3(1Hindol3yl)propanoicacid
InChI=1SC34H44N2O6c133151322(37)1821(33)78242591029(34(252)161426(24)33)4231(39)121130(38)3628(32(40)41)1720193527643523(20)27h3619212426282935H718H212H3(H3638)(H4041)t2124?25?26?28?29?3334m0s1
MFCD06766229
N(4oxo4(((5alpha8xi9xi14xi)3oxoandrostan17yl)oxy)butanoyl)tryptophan
O=C(NC(C(=O)O)Cc1c(nH)c2c1cccc2)CCC(=O)OC1CCC2(C@)1(C)CCC1C2CC(C@@H)2(C@)1(C)CCC(=O)C2
ZINC000253503002
ZINC000253503007
Check stock
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Check stock on Vitas-MAvailable files
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