Vitas-M small molecule compound
N-[({[(3E,9xi,14xi,17beta)-17-hydroxy-17-methylandrost-4-en-3-ylidene]amino}oxy)acetyl]threonine
Catalog ID
STL530941
SMILES O=C(NC(C(=O)O)C(O)C)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 C26H40N2O6 MW 476.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H40N2O6/c1-15(29)22(23(31)32)27-21(30)14-34-28-17-7-10-24(2)16(13-17)5-6-18-19(24)8-11-25(3)20(18)9-12-26(25,4)33/h13,15,18-20,22,29,33H,5-12,14H2,1-4H3,(H,27,30)(H,31,32)/b28-17+/t15?,18-,19?,20?,22?,24+,25+,26+/m1/s1InChIKey
BUWAVRAWKGFIAX-MXPXAGAISA-NSynonyms
135639395
3hydroxy2((2((~(E))((8~(R)10~(R)13~(S)17~(S))17hydroxy101317trimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)butanoicacid
3hydroxy2(2((((8R9S10R13S14S17S)17hydroxy101317trimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)butanoicacid
InChI=1SC26H40N2O6c115(29)22(23(31)32)2721(30)1434281771024(2)16(1317)561819(24)81125(3)20(18)91226(254)33h13151820222933H51214H214H3(H2730)(H3132)b2817+t15?1819?20?22?24+25+26+m1s1
N(((((3E9xi14xi17beta)17hydroxy17methylandrost4en3ylidene)amino)oxy)acetyl)threonine
O=C(NC(C(=O)O)C(O)C)CON=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@)2(C)O)C)C
ZINC000012877089
ZINC001772492528
Check stock
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Check stock on Vitas-MAvailable files
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