Vitas-M small molecule compound
N-[({[(3E,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]valine
Catalog ID
STL527419
SMILES O=C(NC(C(=O)O)C(C)C)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)C)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 C26H40N2O5 MW 460.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H40N2O5/c1-15(2)23(24(31)32)27-22(30)14-33-28-17-9-11-25(3)16(13-17)5-6-18-19-7-8-21(29)26(19,4)12-10-20(18)25/h13,15,18-21,23,29H,5-12,14H2,1-4H3,(H,27,30)(H,31,32)/b28-17+/t18?,19?,20?,21?,23?,25-,26-/m0/s1InChIKey
LTZTXAMQQZBEQH-RAIDRMELSA-NSynonyms
16398055
2((2((~(E))((10~(R)13~(S))17hydroxy1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3methylbutanoicacid
2(2((((10R13S)17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)3methylbutanoicacid
InChI=1SC26H40N2O5c115(2)23(24(31)32)2722(30)1433281791125(3)16(1317)5618197821(29)26(194)121020(18)25h131518212329H51214H214H3(H2730)(H3132)b2817+t18?19?20?21?23?2526m0s1
MFCD03660251
N(((((3E8xi9xi14xi)17hydroxyandrost4en3ylidene)amino)oxy)acetyl)valine
O=C(NC(C(=O)O)C(C)C)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CCC2O)C)C
ZINC000257372827
ZINC000257372830
Check stock
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Check stock on Vitas-MAvailable files
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