Vitas-M small molecule compound
8-ethyl-2-(4-{[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl}piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Catalog ID
STK328959
SMILES COC(=O)c1c(NC(=S)N2CCN(CC2)c2ncc3c(n2)n(CC)cc(c3=O)C(=O)O)sc2c1CCCC2
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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 C25H28N6O5S2 MW 556.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N6O5S2/c1-3-29-13-16(22(33)34)19(32)15-12-26-24(27-20(15)29)30-8-10-31(11-9-30)25(37)28-21-18(23(35)36-2)14-6-4-5-7-17(14)38-21/h12-13H,3-11H2,1-2H3,(H,28,37)(H,33,34)InChIKey
RNJIMMDPDCRTLQ-UHFFFAOYSA-NSynonyms
889949-59-1889949591
8ethyl2(4((3(methoxycarbonyl)4567tetrahydro1benzothiophen2yl)carbamothioyl)piperazin1yl)5oxo58dihydropyrido(23d)pyrimidine6carboxylicacid
8ethyl2(4((3methoxycarbonyl4567tetrahydro1benzothiophen2yl)carbamothioyl)piperazin1yl)5oxopyrido(23d)pyrimidine6carboxylicacid
CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=C(C5=C(S4)CCCC5)C(=O)OC)C(=O)O
InChI=1SC25H28N6O5S2c13291316(22(33)34)19(32)15122624(2720(15)29)3081031(11930)25(37)282118(23(35)362)14645717(14)3821h1213H311H212H3(H2837)(H3334)
MFCD06617332
ZINC000098008166
ZINC98008166
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