Vitas-M small molecule compound
1-[({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]proline
Catalog ID
STL525327
SMILES C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N\OCC(=O)N3CCCC3C(=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 C28H38N2O5 MW 482.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H38N2O5/c1-4-28(34)14-11-22-20-8-7-18-16-19(9-12-26(18,2)21(20)10-13-27(22,28)3)29-35-17-24(31)30-15-5-6-23(30)25(32)33/h1,16,20-23,34H,5-15,17H2,2-3H3,(H,32,33)/b29-19-/t20?,21?,22?,23?,26-,27-,28+/m0/s1InChIKey
TZFHCLYNRGASPW-GRJGNLLFSA-NSynonyms
1(((((3Z8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)acetyl)proline
1(2(((Z)((10R13S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetyl)pyrrolidine2carboxylicacid
1(2((~(Z))((10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)pyrrolidine2carboxylicacid
16396524
C#C(C@@)1(O)CCC2(C@)1(C)CCC1C2CCC2=CC(=NOCC(=O)N3CCCC3C(=O)O)CC(C@)12C
InChI=1SC28H38N2O5c1428(34)1411222087181619(91226(182)21(20)101327(2228)3)29351724(31)30155623(30)25(32)33h116202334H51517H223H3(H3233)b2919t20?21?22?23?262728+m0s1
MFCD01881432
ZINC000008762185
ZINC000253500011
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