Vitas-M small molecule compound
N-[({[(3E,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]alanine
Catalog ID
STL527434
SMILES O=C(NC(C(=O)O)C)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)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 C26H38N2O6 MW 474.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H38N2O6/c1-15(23(31)32)27-22(30)14-34-28-18-7-10-24(3)17(13-18)5-6-19-20(24)8-11-25(4)21(19)9-12-26(25,33)16(2)29/h13,15,19-21,33H,5-12,14H2,1-4H3,(H,27,30)(H,31,32)/b28-18+/t15?,19?,20?,21?,24-,25-,26-/m0/s1InChIKey
QMHLPEHSTBFMGO-RXLMKMCDSA-NSynonyms
135639266
2((2((~(E))((10~(R)13~(S)17~(R))17acetyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)propanoicacid
2(2((((8R9S10R13S14S17R)17acetyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)propanoicacid
InChI=1SC26H38N2O6c115(23(31)32)2722(30)1434281871024(3)17(1318)561920(24)81125(4)21(19)91226(2533)16(2)29h1315192133H51214H214H3(H2730)(H3132)b2818+t15?19?20?21?242526m0s1
MFCD03660392
N(((((3E8xi9xi14xi)17hydroxy20oxopregn4en3ylidene)amino)oxy)acetyl)alanine
O=C(NC(C(=O)O)C)CON=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@)2(O)C(=O)C)C)C
ZINC001772492190
ZINC001772492193
Check stock
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Check stock on Vitas-MAvailable files
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