Vitas-M small molecule compound
methyl 1-[({[(3E,8xi,9xi,14xi,17beta)-17-hydroxy-17-methylandrosta-1,4-dien-3-ylidene]amino}oxy)acetyl]prolinate
Catalog ID
STL527248
SMILES COC(=O)C1CCCN1C(=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 C28H40N2O5 MW 484.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H40N2O5/c1-26-12-9-19(29-35-17-24(31)30-15-5-6-23(30)25(32)34-4)16-18(26)7-8-20-21(26)10-13-27(2)22(20)11-14-28(27,3)33/h9,12,16,20-23,33H,5-8,10-11,13-15,17H2,1-4H3/b29-19+/t20?,21?,22?,23?,26-,27-,28-/m0/s1InChIKey
ZEAOYOHJIHRWSU-ZVPJYZGWSA-NSynonyms
135639240
COC(=O)C1CCCN1C(=O)CON=C1C=C(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@)2(C)O)C)C
InChI=1SC28H40N2O5c12612919(29351724(31)30155623(30)25(32)344)1618(26)782021(26)101327(2)22(20)111428(273)33h91216202333H581011131517H214H3b2919+t20?21?22?23?262728m0s1
methyl1(((((3E8xi9xi14xi17beta)17hydroxy17methylandrosta14dien3ylidene)amino)oxy)acetyl)prolinate
methyl1(2(((E)((8R9S10R13S14S17S)17hydroxy101317trimethyl67891011121314151617dodecahydro3Hcyclopenta(a)phenanthren3ylidene)amino)oxy)acetyl)pyrrolidine2carboxylate
methyl1(2((~(E))((10~(R)13~(S)17~(S))17hydroxy101317trimethyl7891112141516octahydro6~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)pyrrolidine2carboxylate
MFCD03267239
ZINC000008789195
ZINC001772492326
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.