Vitas-M small molecule compound

4-({[({[(3Z,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]amino}methyl)benzoic acid

Catalog ID
STL526364
SMILES O=C(NCc1ccc(cc1)C(=O)O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)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 C29H38N2O5 MW 494.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H38N2O5/c1-28-13-11-21(31-36-17-26(33)30-16-18-3-5-19(6-4-18)27(34)35)15-20(28)7-8-22-23-9-10-25(32)29(23,2)14-12-24(22)28/h3-6,15,22-25,32H,7-14,16-17H2,1-2H3,(H,30,33)(H,34,35)/b31-21-/t22?,23?,24?,25?,28-,29-/m0/s1
InChIKey
HMGVYGVXOSDALV-IVPZLHMXSA-N
Synonyms

16397224
4(((((((3Z8xi9xi14xi)17hydroxyandrost4en3ylidene)amino)oxy)acetyl)amino)methyl)benzoicacid
4(((2((~(Z))((10~(R)13~(S))17hydroxy1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)methyl)benzoicacid
4((2((((10R13S)17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)methyl)benzoicacid
InChI=1SC29H38N2O5c128131121(31361726(33)3016183519(6418)27(34)35)1520(28)78222391025(32)29(232)141224(22)28h3615222532H7141617H212H3(H3033)(H3435)b3121t22?23?24?25?2829m0s1
MFCD02925306
O=C(NCc1ccc(cc1)C(=O)O)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CCC2O)C)C
ZINC000012660191
ZINC000257372812

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Available files

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