Vitas-M small molecule compound
N-[({[(3E,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]threonine
Catalog ID
STL004948
SMILES O=C(NC(C(=O)O)C(O)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 C25H38N2O6 MW 462.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H38N2O6/c1-14(28)22(23(31)32)26-21(30)13-33-27-16-8-10-24(2)15(12-16)4-5-17-18-6-7-20(29)25(18,3)11-9-19(17)24/h12,14,17-20,22,28-29H,4-11,13H2,1-3H3,(H,26,30)(H,31,32)/b27-16+/t14?,17?,18?,19?,20?,22?,24-,25-/m0/s1InChIKey
OLTUSUQAQZSEMW-QLSXVODPSA-NSynonyms
3hydroxy2((2((E)((10R13S)17hydroxy1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)butanoicacid
3hydroxy2(2((((10R13S)17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)butanoicacid
CC(C(C(=O)O)NC(=O)CON=C1CCC2(C3CCC4(C(C3CCC2=C1)CCC4O)C)C)O
InChI=1SC25H38N2O6c114(28)22(23(31)32)2621(30)1333271681024(2)15(1216)4517186720(29)25(183)11919(17)24h12141720222829H41113H213H3(H2630)(H3132)b2716+t14?17?18?19?20?22?2425m0s1
MFCD04145772
N(((((3E8XI9XI14XI)17HYDROXYANDROST4EN3YLIDENE)AMINO)OXY)ACETYL)THREONINE
O=C(NC(C(=O)O)C(O)C)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CCC2O)C)C
ZINC000257173469
ZINC000257173472
Check stock
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Check stock on Vitas-MAvailable files
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