Vitas-M small molecule compound
4-{[({[(3E,8xi,9xi,14xi,17beta)-17-hydroxy-17-methylandrosta-1,4-dien-3-ylidene]amino}oxy)acetyl]amino}-3-phenylbutanoic acid
Catalog ID
STL542207
SMILES O=C(CO/N=C/1\C=C[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(C)O)C)C)NCC(c1ccccc1)CC(=O)O
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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 C32H42N2O5 MW 534.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H42N2O5/c1-30-14-11-24(34-39-20-28(35)33-19-22(17-29(36)37)21-7-5-4-6-8-21)18-23(30)9-10-25-26(30)12-15-31(2)27(25)13-16-32(31,3)38/h4-8,11,14,18,22,25-27,38H,9-10,12-13,15-17,19-20H2,1-3H3,(H,33,35)(H,36,37)/b34-24+/t22?,25?,26?,27?,30-,31-,3InChIKey
ZPXHVNPZTXFIOI-DJZFVXEHSA-NSynonyms
16403279
4((((((3E8xi9xi14xi17beta)17hydroxy17methylandrosta14dien3ylidene)amino)oxy)acetyl)amino)3phenylbutanoicacid
4((2((~(E))((10~(R)13~(S)17~(S))17hydroxy101317trimethyl7891112141516octahydro6~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)3phenylbutanoicacid
4(2((((10R13S17S)17hydroxy101317trimethyl67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren3ylidene)amino)oxy)acetamido)3phenylbutanoicacid
InChI=1SC32H42N2O5c130141124(34392028(35)331922(1729(36)37)217546821)1823(30)9102526(30)121531(2)27(25)131632(313)38h4811141822252738H910121315171920H213H3(H3335)(H3637)b3424+t22?25?26?27?303132m0s1
MFCD06495472
O=C(CON=C1C=C(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC(C@)2(C)O)C)C)NCC(c1ccccc1)CC(=O)O
ZINC000118918982
ZINC000257372970
Check stock
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Check stock on Vitas-MAvailable files
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