Vitas-M small molecule compound
N-[1-(cyclohex-3-en-1-yl)-2-{[4-(morpholin-4-yl)phenyl]amino}-2-oxoethyl]-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(pyridin-3-ylmethyl)acetamide
Catalog ID
STL437639
SMILES O=C(C(N(C(=O)CSc1nc(C)cc(n1)C)Cc1cccnc1)C1CCC=CC1)Nc1ccc(cc1)N1CCOCC1
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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 C32H38N6O3S MW 586.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H38N6O3S/c1-23-19-24(2)35-32(34-23)42-22-29(39)38(21-25-7-6-14-33-20-25)30(26-8-4-3-5-9-26)31(40)36-27-10-12-28(13-11-27)37-15-17-41-18-16-37/h3-4,6-7,10-14,19-20,26,30H,5,8-9,15-18,21-22H2,1-2H3,(H,36,40)InChIKey
JTNOMHWBUOKNNQ-UHFFFAOYSA-NSynonyms
2CYCLOHEX3EN1YL2((2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)(PYRIDIN3YLMETHYL)AMINO)N(4MORPHOLIN4YLPHENYL)ACETAMIDE
CC1=CC(=NC(=N1)SCC(=O)N(CC2=CN=CC=C2)C(C3CCC=CC3)C(=O)NC4=CC=C(C=C4)N5CCOCC5)C
InChI=1SC32H38N6O3Sc1231924(2)3532(3423)422229(39)38(21257614332025)30(268435926)31(40)3627101228(131127)37151741181637h3467101419202630H58915182122H212H3(H3640)
MFCD09958664
N(1(cyclohex3en1yl)2((4(morpholin4yl)phenyl)amino)2oxoethyl)2((46dimethylpyrimidin2yl)sulfanyl)N(pyridin3ylmethyl)acetamide
ZINC000101391148
ZINC000101391154
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