Vitas-M small molecule compound
N-[({[(3E,9xi,14xi,17beta)-17-hydroxy-17-methylandrost-4-en-3-ylidene]amino}oxy)acetyl]serine
Catalog ID
STL531694
SMILES OCC(C(=O)O)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CC[C@@H]1C2CC[C@]2(C1CC[C@]2(C)O)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/c1-23-9-6-16(27-33-14-21(29)26-20(13-28)22(30)31)12-15(23)4-5-17-18(23)7-10-24(2)19(17)8-11-25(24,3)32/h12,17-20,28,32H,4-11,13-14H2,1-3H3,(H,26,29)(H,30,31)/b27-16+/t17-,18?,19?,20?,23+,24+,25+/m1/s1InChIKey
XTKJCJCPPRSNNR-FTVCMNJRSA-NSynonyms
135639402
3hydroxy2((2((~(E))((8~(R)10~(R)13~(S)17~(S))17hydroxy101317trimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)propanoicacid
3hydroxy2(2((((8R9S10R13S14S17S)17hydroxy101317trimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)propanoicacid
InChI=1SC25H38N2O6c1239616(27331421(29)2620(1328)22(30)31)1215(23)451718(23)71024(2)19(17)81125(243)32h1217202832H4111314H213H3(H2629)(H3031)b2716+t1718?19?20?23+24+25+m1s1
N(((((3E9xi14xi17beta)17hydroxy17methylandrost4en3ylidene)amino)oxy)acetyl)serine
OCC(C(=O)O)NC(=O)CON=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@)2(C)O)C)C
ZINC001772492539
ZINC001772492542
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.