Vitas-M small molecule compound
N~2~-[({[(3E,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]asparagine
Catalog ID
STL546747
SMILES C[C@@]12CC/C(=N\OCC(=O)NC(C(=O)O)CC(=O)N)/C=C2CCC2C1CC[C@]1(C2CCC1O)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 C25H37N3O6 MW 475.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H37N3O6/c1-24-9-7-15(28-34-13-22(31)27-19(23(32)33)12-21(26)30)11-14(24)3-4-16-17-5-6-20(29)25(17,2)10-8-18(16)24/h11,16-20,29H,3-10,12-13H2,1-2H3,(H2,26,30)(H,27,31)(H,32,33)/b28-15+/t16?,17?,18?,19?,20?,24-,25-/m0/s1InChIKey
PZKVVXINSMMEGU-KQKIANBSSA-NSynonyms
42648687
4amino2((2((~(E))((10~(R)13~(S))17hydroxy1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)4oxobutanoicacid
4amino2(2((((10R13S)17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)4oxobutanoicacid
C(C@@)12CCC(=NOCC(=O)NC(C(=O)O)CC(=O)N)C=C2CCC2C1CC(C@)1(C2CCC1O)C
InChI=1SC25H37N3O6c1249715(28341322(31)2719(23(32)33)1221(26)30)1114(24)3416175620(29)25(172)10818(16)24h11162029H3101213H212H3(H22630)(H2731)(H3233)b2815+t16?17?18?19?20?2425m0s1
N~2~(((((3E8xi9xi14xi)17hydroxyandrost4en3ylidene)amino)oxy)acetyl)asparagine
N2(((((3E8XI9XI14XI)17HYDROXYANDROST4EN3YLIDENE)AMINO)OXY)ACETYL)ASPARAGINE
ZINC000257372773
ZINC000257372776
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