Vitas-M small molecule compound
N-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)valylserine
Catalog ID
STL528360
SMILES OCC(C(=O)O)NC(=O)C(C(C)C)NC(=O)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 C33H48N2O11 MW 648.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H48N2O11/c1-17(2)28(29(42)34-22(15-36)30(43)44)35-25(40)7-8-26(41)46-16-24(39)33(45)12-10-21-20-6-5-18-13-19(37)9-11-31(18,3)27(20)23(38)14-32(21,33)4/h13,17,20-23,27-28,36,38,45H,5-12,14-16H2,1-4H3,(H,34,42)(H,35,40)(H,43,44)/t20?,21?,22?,23?InChIKey
YGPIBIXZAOAFIB-RRPKFXDRSA-NSynonyms
16404226
2((2((4(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)3methylbutanoyl)amino)3hydroxypropanoicacid
2(2(4(2((10R13S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)3methylbutanamido)3hydroxypropanoicacid
InChI=1SC33H48N2O11c117(2)28(29(42)3422(1536)30(43)44)3525(40)7826(41)461624(39)33(45)1210212065181319(37)91131(183)27(20)23(38)1432(2133)4h131720232728363845H5121416H214H3(H3442)(H3540)(H4344)t20?21?22?23?27?28?313233m0s1
MFCD04073466
N(4(((8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)valylserine
OCC(C(=O)O)NC(=O)C(C(C)C)NC(=O)CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(O)C1C2CCC2=CC(=O)CC(C@)12C
ZINC000253504277
ZINC000253504298
Check stock
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Check stock on Vitas-MAvailable files
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