Vitas-M small molecule compound
N~2~-[({[(3E,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]glutamine
Catalog ID
STL547073
SMILES C[C@@]12CC/C(=N\OCC(=O)NC(C(=O)O)CCC(=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 C26H39N3O6 MW 489.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H39N3O6/c1-25-11-9-16(29-35-14-23(32)28-20(24(33)34)6-8-22(27)31)13-15(25)3-4-17-18-5-7-21(30)26(18,2)12-10-19(17)25/h13,17-21,30H,3-12,14H2,1-2H3,(H2,27,31)(H,28,32)(H,33,34)/b29-16+/t17?,18?,19?,20?,21?,25-,26-/m0/s1InChIKey
UFLLAIAWPSWXOC-IJZJYTODSA-NSynonyms
16399522
5amino2((2((~(E))((10~(R)13~(S))17hydroxy1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)5oxopentanoicacid
5amino2(2((((10R13S)17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)5oxopentanoicacid
C(C@@)12CCC(=NOCC(=O)NC(C(=O)O)CCC(=O)N)C=C2CCC2C1CC(C@)1(C2CCC1O)C
InChI=1SC26H39N3O6c12511916(29351423(32)2820(24(33)34)6822(27)31)1315(25)3417185721(30)26(182)121019(17)25h13172130H31214H212H3(H22731)(H2832)(H3334)b2916+t17?18?19?20?21?2526m0s1
MFCD04144170
N~2~(((((3E8xi9xi14xi)17hydroxyandrost4en3ylidene)amino)oxy)acetyl)glutamine
N2(((((3E8XI9XI14XI)17HYDROXYANDROST4EN3YLIDENE)AMINO)OXY)ACETYL)GLUTAMINE
ZINC000257372749
ZINC000257372752
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