Vitas-M small molecule compound
N-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)valyltryptophan
Catalog ID
STL528568
SMILES O=C(NC(C(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2)C(C)C)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[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 C41H53N3O10 MW 747.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H53N3O10/c1-22(2)36(37(50)43-30(38(51)52)17-23-20-42-29-8-6-5-7-26(23)29)44-33(48)11-12-34(49)54-21-32(47)41(53)16-14-28-27-10-9-24-18-25(45)13-15-39(24,3)35(27)31(46)19-40(28,41)4/h5-8,18,20,22,27-28,30-31,35-36,42,46,53H,9-17,19,21H2,1-4H3,(InChIKey
WCZQHCTZWXAWQV-XSQBKIOCSA-NSynonyms
16404231
2((2((4(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)3methylbutanoyl)amino)3(1~(H)indol3yl)propanoicacid
2(2(4(2((10R13S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)3methylbutanamido)3(1Hindol3yl)propanoicacid
InChI=1SC41H53N3O10c122(2)36(37(50)4330(38(51)52)1723204229865726(23)29)4433(48)111234(49)542132(47)41(53)16142827109241825(45)131539(243)35(27)31(46)1940(2841)4h58182022272830313536424653H9171921H214H3(H4350)(H4448)(H5152)t27?28?30?31?35?36?394041m0
MFCD04081826
N(4(((8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)valyltryptophan
O=C(NC(C(=O)NC(C(=O)O)Cc1c(nH)c2c1cccc2)C(C)C)CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(O)C1C2CCC2=CC(=O)CC(C@)12C
ZINC000253504209
ZINC000253504239
Check stock
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Check stock on Vitas-MAvailable files
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