Vitas-M small molecule compound
4-hydroxy-1-[({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]proline
Catalog ID
STL547784
SMILES C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N\OCC(=O)N3CC(CC3C(=O)O)O)/CC[C@]12C
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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 C28H38N2O6 MW 498.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H38N2O6/c1-4-28(35)12-9-22-20-6-5-17-13-18(7-10-26(17,2)21(20)8-11-27(22,28)3)29-36-16-24(32)30-15-19(31)14-23(30)25(33)34/h1,13,19-23,31,35H,5-12,14-16H2,2-3H3,(H,33,34)/b29-18-/t19?,20?,21?,22?,23?,26-,27-,28+/m0/s1InChIKey
QHCQNAGGXZTXNU-WGCJKDKZSA-NSynonyms
1(2(((Z)((10R13S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetyl)4hydroxypyrrolidine2carboxylicacid
1(2((~(Z))((10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)4hydroxypyrrolidine2carboxylicacid
16399519
4hydroxy1(((((3Z8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)proline
C#C(C@@)1(O)CCC2(C@)1(C)CCC1C2CCC2=CC(=NOCC(=O)N3CC(CC3C(=O)O)O)CC(C@)12C
InChI=1SC28H38N2O6c1428(35)129222065171318(71026(172)21(20)81127(2228)3)29361624(32)301519(31)1423(30)25(33)34h11319233135H5121416H223H3(H3334)b2918t19?20?21?22?23?262728+m0s1
MFCD01881399
ZINC000012857995
ZINC000253498762
Check stock
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Check stock on Vitas-MAvailable files
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