Vitas-M small molecule compound
N-[({[(3E,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]methionine
Catalog ID
STL542293
SMILES CSCCC(C(=O)O)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)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 C28H42N2O6S MW 534.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H42N2O6S/c1-17(31)28(35)13-9-22-20-6-5-18-15-19(7-11-26(18,2)21(20)8-12-27(22,28)3)30-36-16-24(32)29-23(25(33)34)10-14-37-4/h15,20-23,35H,5-14,16H2,1-4H3,(H,29,32)(H,33,34)/b30-19+/t20?,21?,22?,23?,26-,27-,28-/m0/s1InChIKey
NDTASAZCTGYCNE-KEUZRTHJSA-NSynonyms
2((2((~(E))((10~(R)13~(S)17~(R))17acetyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)4methylsulfanylbutanoicacid
2(2((((10R13S17R)17acetyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)4(methylthio)butanoicacid
42648715
CSCCC(C(=O)O)NC(=O)CON=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC(C@)2(O)C(=O)C)C)C
InChI=1SC28H42N2O6Sc117(31)28(35)139222065181519(71126(182)21(20)81227(2228)3)30361624(32)2923(25(33)34)1014374h15202335H51416H214H3(H2932)(H3334)b3019+t20?21?22?23?262728m0s1
N(((((3E8xi9xi14xi)17hydroxy20oxopregn4en3ylidene)amino)oxy)acetyl)methionine
ZINC000036369749
ZINC000036369752
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.