Vitas-M small molecule compound
{[({[(3E,8xi,9xi,14xi,17beta)-17-hydroxy-17-methylandrosta-1,4-dien-3-ylidene]amino}oxy)acetyl]amino}(phenyl)acetic acid
Catalog ID
STL527165
SMILES O=C(NC(c1ccccc1)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 C30H38N2O5 MW 506.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38N2O5/c1-28-14-11-21(32-37-18-25(33)31-26(27(34)35)19-7-5-4-6-8-19)17-20(28)9-10-22-23(28)12-15-29(2)24(22)13-16-30(29,3)36/h4-8,11,14,17,22-24,26,36H,9-10,12-13,15-16,18H2,1-3H3,(H,31,33)(H,34,35)/b32-21+/t22?,23?,24?,26?,28-,29-,30-/m0/s1InChIKey
ANJVUOUTSWDMRC-ZFXVJBEKSA-NSynonyms
((((((3E8xi9xi14xi17beta)17hydroxy17methylandrosta14dien3ylidene)amino)oxy)acetyl)amino)(phenyl)aceticacid
16397665
2((2((~(E))((10~(R)13~(S)17~(S))17hydroxy101317trimethyl7891112141516octahydro6~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)2phenylaceticacid
2(2(((E)((10R13S17S)17hydroxy101317trimethyl67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren3ylidene)amino)oxy)acetamido)2phenylaceticacid
InChI=1SC30H38N2O5c128141121(32371825(33)3126(27(34)35)197546819)1720(28)9102223(28)121529(2)24(22)131630(293)36h4811141722242636H9101213151618H213H3(H3133)(H3435)b3221+t22?23?24?26?282930m0s1
MFCD03266635
O=C(NC(c1ccccc1)C(=O)O)CON=C1C=C(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC(C@)2(C)O)C)C
ZINC000035361498
ZINC000253498885
Check stock
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Check stock on Vitas-MAvailable files
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