Vitas-M small molecule compound
2-{4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Catalog ID
STK333191
SMILES CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCN(CC1)C(=S)Nc1ccc(cc1Br)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 C22H23BrN6O3S MW 531.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23BrN6O3S/c1-3-27-12-15(20(31)32)18(30)14-11-24-21(26-19(14)27)28-6-8-29(9-7-28)22(33)25-17-5-4-13(2)10-16(17)23/h4-5,10-12H,3,6-9H2,1-2H3,(H,25,33)(H,31,32)InChIKey
QOXMPRQRUNXTAX-UHFFFAOYSA-NSynonyms
488803-19-62(4((2bromo4methylphenyl)carbamothioyl)piperazin1yl)8ethyl5oxo58dihydropyrido(23d)pyrimidine6carboxylicacid
2(4((2BROMO4METHYLPHENYL)CARBAMOTHIOYL)PIPERAZIN1YL)8ETHYL5OXOPYRIDO(23D)PYRIMIDINE6CARBOXYLICACID
488803196
CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=C(C=C(C=C4)C)Br)C(=O)O
InChI=1SC22H23BrN6O3Sc13271215(20(31)32)18(30)14112421(2619(14)27)286829(9728)22(33)25175413(2)1016(17)23h451012H369H212H3(H2533)(H3132)
MFCD03293169
ZINC000001142509
ZINC1142509
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