Vitas-M small molecule compound
4-({[({[(3E,8xi,9xi,14xi,17beta)-17-hydroxy-17-methylandrosta-1,4-dien-3-ylidene]amino}oxy)acetyl]amino}methyl)cyclohexanecarboxylic acid
Catalog ID
STL540369
SMILES O=C(NCC1CCC(CC1)C(=O)O)CO/N=C/1\C=C[C@]2(C(=C1)CCC1C2CC[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 C30H44N2O5 MW 512.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H44N2O5/c1-28-13-10-22(32-37-18-26(33)31-17-19-4-6-20(7-5-19)27(34)35)16-21(28)8-9-23-24(28)11-14-29(2)25(23)12-15-30(29,3)36/h10,13,16,19-20,23-25,36H,4-9,11-12,14-15,17-18H2,1-3H3,(H,31,33)(H,34,35)/b32-22+/t19?,20?,23?,24?,25?,28-,29-,30-/mInChIKey
NTTXCEDJMLRTGI-XDLIRABPSA-NSynonyms
16399352
4(((((((3E8xi9xi14xi17beta)17hydroxy17methylandrosta14dien3ylidene)amino)oxy)acetyl)amino)methyl)cyclohexanecarboxylicacid
4(((2((~(E))((10~(R)13~(S)17~(S))17hydroxy101317trimethyl7891112141516octahydro6~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)methyl)cyclohexane1carboxylicacid
4((2((((10R13S17S)17hydroxy101317trimethyl67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren3ylidene)amino)oxy)acetamido)methyl)cyclohexanecarboxylicacid
InChI=1SC30H44N2O5c128131022(32371826(33)3117194620(7519)27(34)35)1621(28)892324(28)111429(2)25(23)121530(293)36h1013161920232536H49111214151718H213H3(H3133)(H3435)b3222+t19?20?23?24?25?282930m0s1
MFCD04143123
ZINC000012662689
ZINC000257372742
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.