Vitas-M small molecule compound
2-({[(3E,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)-N-(2-phenylethyl)acetamide
Catalog ID
STL537696
SMILES C#C[C@@]1(O)CCC2[C@]1(C)CCC1[C@H]2CCC2=C/C(=N/OCC(=O)NCCc3ccccc3)/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 C31H40N2O3 MW 488.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H40N2O3/c1-4-31(35)18-14-27-25-11-10-23-20-24(12-16-29(23,2)26(25)13-17-30(27,31)3)33-36-21-28(34)32-19-15-22-8-6-5-7-9-22/h1,5-9,20,25-27,35H,10-19,21H2,2-3H3,(H,32,34)/b33-24+/t25-,26?,27?,29+,30+,31-/m1/s1InChIKey
KWAQHRNDGOWNGW-MYRYDYOASA-NSynonyms
16402139
2((((3E9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)N(2phenylethyl)acetamide
2((((8R10R13S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)Nphenethylacetamide
2((~(E))((8~(R)10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxy~(N)(2phenylethyl)acetamide
C#C(C@@)1(O)CCC2(C@)1(C)CCC1(C@H)2CCC2=CC(=NOCC(=O)NCCc3ccccc3)CC(C@)12C
InChI=1SC31H40N2O3c1431(35)181427251110232024(121629(232)26(25)131730(2731)3)33362128(34)321915228657922h15920252735H101921H223H3(H3234)b3324+t2526?27?29+30+31m1s1
MFCD06492986
ZINC000012874347
ZINC000012874376
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