Vitas-M small molecule compound

8-ethyl-2-(4-{[3-(methoxycarbonyl)-4-(4-methylphenyl)thiophen-2-yl]carbamothioyl}piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid

Catalog ID
STK328728
SMILES COC(=O)c1c(scc1c1ccc(cc1)C)NC(=S)N1CCN(CC1)c1ncc2c(n1)n(CC)cc(c2=O)C(=O)O

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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 C28H28N6O5S2 MW 592.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N6O5S2/c1-4-32-14-19(25(36)37)22(35)18-13-29-27(30-23(18)32)33-9-11-34(12-10-33)28(40)31-24-21(26(38)39-3)20(15-41-24)17-7-5-16(2)6-8-17/h5-8,13-15H,4,9-12H2,1-3H3,(H,31,40)(H,36,37)
InChIKey
DSPGXZSABUUFJR-UHFFFAOYSA-N
Synonyms
889951-25-1
889951251
8ethyl2(4((3(methoxycarbonyl)4(4methylphenyl)thiophen2yl)carbamothioyl)piperazin1yl)5oxo58dihydropyrido(23d)pyrimidine6carboxylicacid
8ETHYL2(4((3METHOXYCARBONYL4(4METHYLPHENYL)THIOPHEN2YL)CARBAMOTHIOYL)PIPERAZIN1YL)5OXOPYRIDO(23D)PYRIMIDINE6CARBOXYLICACID
CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=C(C(=CS4)C5=CC=C(C=C5)C)C(=O)OC)C(=O)O
InChI=1SC28H28N6O5S2c14321419(25(36)37)22(35)18132927(3023(18)32)3391134(121033)28(40)312421(26(38)393)20(154124)177516(2)6817h581315H4912H213H3(H3140)(H3637)
MFCD06617876
ZINC000098008217
ZINC98008217

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Available files

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