Vitas-M small molecule compound
8-ethyl-2-(4-{[6-methyl-3-(propoxycarbonyl)-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
STK328962
SMILES CCCOC(=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 C28H34N6O5S2 MW 598.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N6O5S2/c1-4-12-39-26(38)21-17-7-6-16(3)13-20(17)41-24(21)31-28(40)34-10-8-33(9-11-34)27-29-14-18-22(35)19(25(36)37)15-32(5-2)23(18)30-27/h14-16H,4-13H2,1-3H3,(H,31,40)(H,36,37)InChIKey
KOEYSCYLDVVSGU-UHFFFAOYSA-NSynonyms
898057-10-8898057108
8ethyl2(4((6methyl3(propoxycarbonyl)4567tetrahydro1benzothiophen2yl)carbamothioyl)piperazin1yl)5oxo58dihydropyrido(23d)pyrimidine6carboxylicacid
8ethyl2(4((6methyl3propoxycarbonyl4567tetrahydro1benzothiophen2yl)carbamothioyl)piperazin1yl)5oxopyrido(23d)pyrimidine6carboxylicacid
CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)N3CCN(CC3)C4=NC=C5C(=O)C(=CN(C5=N4)CC)C(=O)O
InChI=1SC28H34N6O5S2c14123926(38)21177616(3)1320(17)4124(21)3128(40)3410833(91134)2729141822(35)19(25(36)37)1532(52)23(18)3027h1416H413H213H3(H3140)(H3637)
MFCD06735589
ZINC000098008170
ZINC000098008171
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