Vitas-M small molecule compound
2-(4-{[3-(ethoxycarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl}piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Catalog ID
STK328963
SMILES CCOC(=O)c1c(NC(=S)N2CCN(CC2)c2ncc3c(n2)n(CC)cc(c3=O)C(=O)O)sc2c1CCC(C2)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 C27H32N6O5S2 MW 584.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N6O5S2/c1-4-31-14-18(24(35)36)21(34)17-13-28-26(29-22(17)31)32-8-10-33(11-9-32)27(39)30-23-20(25(37)38-5-2)16-7-6-15(3)12-19(16)40-23/h13-15H,4-12H2,1-3H3,(H,30,39)(H,35,36)InChIKey
SZBLOQNJSXUQMF-UHFFFAOYSA-NSynonyms
889953-30-42(4((3(ethoxycarbonyl)6methyl4567tetrahydro1benzothiophen2yl)carbamothioyl)piperazin1yl)8ethyl5oxo58dihydropyrido(23d)pyrimidine6carboxylicacid
2(4((3ethoxycarbonyl6methyl4567tetrahydro1benzothiophen2yl)carbamothioyl)piperazin1yl)8ethyl5oxopyrido(23d)pyrimidine6carboxylicacid
889953304
CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=C(C5=C(S4)CC(CC5)C)C(=O)OCC)C(=O)O
InChI=1SC27H32N6O5S2c14311418(24(35)36)21(34)17132826(2922(17)31)3281033(11932)27(39)302320(25(37)3852)167615(3)1219(16)4023h1315H412H213H3(H3039)(H3536)
MFCD06618489
ZINC000098008260
ZINC000098008261
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