Vitas-M small molecule compound
N-[3-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)phenyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Catalog ID
STK359514
SMILES O=C(Nc1cccc(c1)NC(=O)C12CC3CC(C2)CC(C1)C3)CSc1nc(C)cc(n1)C
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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 C25H30N4O2S MW 450.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O2S/c1-15-6-16(2)27-24(26-15)32-14-22(30)28-20-4-3-5-21(10-20)29-23(31)25-11-17-7-18(12-25)9-19(8-17)13-25/h3-6,10,17-19H,7-9,11-14H2,1-2H3,(H,28,30)(H,29,31)InChIKey
GADAIOQWYYIAIQ-UHFFFAOYSA-NSynonyms
CC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C
InChI=1SC25H30N4O2Sc115616(2)2724(2615)321422(30)282043521(1020)2923(31)251117718(1225)919(817)1325h36101719H791114H212H3(H2830)(H2931)
MFCD11696265
N(3((((46dimethylpyrimidin2yl)sulfanyl)acetyl)amino)phenyl)tricyclo(3311~37~)decane1carboxamide
N(3((2(46dimethylpyrimidin2yl)sulfanylacetyl)amino)phenyl)adamantane1carboxamide
ZINC000020102715
ZINC20102715
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