Vitas-M small molecule compound
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]butanamide
Catalog ID
STK123486
SMILES CCC(C(=O)Nc1sc2c(c1C#N)CCCC2)Sc1nc(C)cc(=O)[nH]1
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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 C18H20N4O2S2 MW 388.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O2S2/c1-3-13(26-18-20-10(2)8-15(23)21-18)16(24)22-17-12(9-19)11-6-4-5-7-14(11)25-17/h8,13H,3-7H2,1-2H3,(H,22,24)(H,20,21,23)InChIKey
ZWEWXSYMOXEWEX-UHFFFAOYSA-NSynonyms
354539-48-3354539483
CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=NC(=O)C=C(N3)C
CCC(C(=O)Nc1sc2c(c1C#N)CCCC2)Sc1nc(C)cc(=O)(nH)1
InChI=1SC18H20N4O2S2c1313(26182010(2)815(23)2118)16(24)221712(919)11645714(11)2517h813H37H212H3(H2224)(H202123)
MFCD02056540
N(3cyano4567tetrahydro1benzothiophen2yl)2((4methyl6oxo16dihydropyrimidin2yl)sulfanyl)butanamide
N(3cyano4567tetrahydro1benzothiophen2yl)2((6methyl4oxo1Hpyrimidin2yl)sulfanyl)butanamide
ZINC000018094191
ZINC000018094193
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