Vitas-M small molecule compound
2-{4-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)carbamothioyl]piperazin-1-yl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Catalog ID
STK328887
SMILES CCOC(=O)C(NC(=S)N1CCN(CC1)c1ncc2c(n1)n(CC)cc(c2=O)C(=O)O)Cc1ccccc1
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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 C26H30N6O5S MW 538.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N6O5S/c1-3-30-16-19(23(34)35)21(33)18-15-27-25(29-22(18)30)31-10-12-32(13-11-31)26(38)28-20(24(36)37-4-2)14-17-8-6-5-7-9-17/h5-9,15-16,20H,3-4,10-14H2,1-2H3,(H,28,38)(H,34,35)InChIKey
DBNRAVCSPPSJCZ-UHFFFAOYSA-NSynonyms
1026779-35-01026779350
2(4((1ethoxy1oxo3phenylpropan2yl)carbamothioyl)piperazin1yl)8ethyl5oxo58dihydropyrido(23d)pyrimidine6carboxylicacid
2(4((1ETHOXY1OXO3PHENYLPROPAN2YL)CARBAMOTHIOYL)PIPERAZIN1YL)8ETHYL5OXOPYRIDO(23D)PYRIMIDINE6CARBOXYLICACID
CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(CC4=CC=CC=C4)C(=O)OCC)C(=O)O
InChI=1SC26H30N6O5Sc13301619(23(34)35)21(33)18152725(2922(18)30)31101232(131131)26(38)2820(24(36)3742)14178657917h59151620H341014H212H3(H2838)(H3435)
MFCD05857787
ZINC000098007311
ZINC000098007312
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