Vitas-M small molecule compound
7-methyl-2-[(1E)-1-phenylprop-1-en-2-yl]-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STK382157
SMILES CC1CCc2c(C1)sc1c2C(=O)NC(N1)/C(=C/c1ccccc1)/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 C20H22N2OS MW 338.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2OS/c1-12-8-9-15-16(10-12)24-20-17(15)19(23)21-18(22-20)13(2)11-14-6-4-3-5-7-14/h3-7,11-12,18,22H,8-10H2,1-2H3,(H,21,23)/b13-11+InChIKey
IIGCSMMYJZAWAD-ACCUITESSA-NSynonyms
7methyl2((1E)1phenylprop1en2yl)235678hexahydro(1)benzothieno(23d)pyrimidin4(1H)one
7methyl2((E)1phenylprop1en2yl)235678hexahydro1H(1)benzothiolo(23d)pyrimidin4one
CC1CCC2=C(C1)SC3=C2C(=O)NC(N3)C(=CC4=CC=CC=C4)C
CC1CCc2c(C1)sc1c2C(=O)NC(N1)C(=Cc1ccccc1)C
InChI=1SC20H22N2OSc112891516(1012)242017(15)19(23)2118(2220)13(2)11146435714h3711121822H810H212H3(H2123)b1311+
MFCD02915469
ZINC000004543373
ZINC000004543379
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