Vitas-M small molecule compound
N-(cyclohexylmethyl)-2-({[(3E,9xi,14xi,17alpha)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetamide
Catalog ID
STL005313
SMILES C#C[C@]1(O)CCC2[C@]1(C)CCC1[C@H]2CCC2=C/C(=N/OCC(=O)NCC3CCCCC3)/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 C30H44N2O3 MW 480.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H44N2O3/c1-4-30(34)17-14-26-24-11-10-22-18-23(12-15-28(22,2)25(24)13-16-29(26,30)3)32-35-20-27(33)31-19-21-8-6-5-7-9-21/h1,18,21,24-26,34H,5-17,19-20H2,2-3H3,(H,31,33)/b32-23+/t24-,25?,26?,28+,29+,30+/m1/s1InChIKey
RKLKVACZKFQKLQ-BIJMCJDUSA-NSynonyms
C#C(C@)1(O)CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=NOCC(=O)NCC3CCCCC3)CC(C@)12C
C#C(C@)1(O)CCC2(C@)1(C)CCC1(C@H)2CCC2=CC(=NOCC(=O)NCC3CCCCC3)CC(C@)12C
CC12CCC(=NOCC(=O)NCC3CCCCC3)C=C1CCC4C2CCC5(C4CCC5(C#C)O)C
InChI=1SC30H44N2O3c1430(34)171426241110221823(121528(222)25(24)131629(2630)3)32352027(33)3119218657921h11821242634H5171920H223H3(H3133)b3223+t2425?26?28+29+30+m1s1
N(CYCLOHEXYLMETHYL)2((((3E9XI14XI17ALPHA)17HYDROXYPREGN4EN20YN3YLIDENE)AMINO)OXY)ACETAMIDE
N(cyclohexylmethyl)2((((8R9S10R13S14S17R)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamide
N(cyclohexylmethyl)2((E)((8R10R13S17R)17ethynyl17hydroxy1013dimethyl267891112141516decahydro1Hcyclopenta(a)phenanthren3ylidene)amino)oxyacetamide
ZINC000008789086
ZINC000051347712
Check stock
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