Vitas-M small molecule compound
2-({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)-N-(pyridin-4-ylmethyl)acetamide
Catalog ID
STL526506
SMILES C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NCc3ccncc3)/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 C29H37N3O3 MW 475.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37N3O3/c1-4-29(34)14-9-25-23-6-5-21-17-22(7-12-27(21,2)24(23)8-13-28(25,29)3)32-35-19-26(33)31-18-20-10-15-30-16-11-20/h1,10-11,15-17,23-25,34H,5-9,12-14,18-19H2,2-3H3,(H,31,33)/b32-22+/t23?,24?,25?,27-,28-,29+/m0/s1InChIKey
BEHVDOBUKFSOBR-MRECPXKCSA-NSynonyms
2((((10R13S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)N(pyridin4ylmethyl)acetamide
2((((3E8xi9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)N(pyridin4ylmethyl)acetamide
2((~(E))((10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxy~(N)(pyridin4ylmethyl)acetamide
71753131
C#C(C@@)1(O)CCC2(C@)1(C)CCC1C2CCC2=CC(=NOCC(=O)NCc3ccncc3)CC(C@)12C
InChI=1SC29H37N3O3c1429(34)149252365211722(71227(212)24(23)81328(2529)3)32351926(33)311820101530161120h110111517232534H5912141819H223H3(H3133)b3222+t23?24?25?272829+m0s1
ZINC000085889196
ZINC001772492378
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