Vitas-M small molecule compound
methyl 1-[({[(3Z,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]prolinate
Catalog ID
STL524662
SMILES COC(=O)C1CCCN1C(=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 C27H40N2O5 MW 472.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H40N2O5/c1-26-12-10-18(28-34-16-24(31)29-14-4-5-22(29)25(32)33-3)15-17(26)6-7-19-20-8-9-23(30)27(20,2)13-11-21(19)26/h15,19-23,30H,4-14,16H2,1-3H3/b28-18-/t19?,20?,21?,22?,23?,26-,27-/m0/s1InChIKey
ADIJLNHTNIIQSP-AROIZIDISA-NSynonyms
16396453
COC(=O)C1CCCN1C(=O)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CCC2O)C)C
InChI=1SC27H40N2O5c126121018(28341624(31)29144522(29)25(32)333)1517(26)6719208923(30)27(202)131121(19)26h15192330H41416H213H3b2818t19?20?21?22?23?2627m0s1
methyl1(((((3Z8xi9xi14xi)17hydroxyandrost4en3ylidene)amino)oxy)acetyl)prolinate
methyl1(2(((Z)((10R13S)17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetyl)pyrrolidine2carboxylate
methyl1(2((~(Z))((10~(R)13~(S))17hydroxy1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)pyrrolidine2carboxylate
MFCD01880999
ZINC000253498861
ZINC000253498867
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