Vitas-M small molecule compound
2-(4-{[(6-chloropyridin-3-yl)carbonyl]carbamothioyl}piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Catalog ID
STK769922
SMILES CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCN(CC1)C(=S)NC(=O)c1ccc(nc1)Cl
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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 C21H20ClN7O4S MW 501.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN7O4S/c1-2-27-11-14(19(32)33)16(30)13-10-24-20(25-17(13)27)28-5-7-29(8-6-28)21(34)26-18(31)12-3-4-15(22)23-9-12/h3-4,9-11H,2,5-8H2,1H3,(H,32,33)(H,26,31,34)InChIKey
AQEQAKFDBVLBEZ-UHFFFAOYSA-NSynonyms
489398-67-62(4(((6chloropyridin3yl)carbonyl)carbamothioyl)piperazin1yl)8ethyl5oxo58dihydropyrido(23d)pyrimidine6carboxylicacid
2(4((6chloronicotinoyl)carbamothioyl)piperazin1yl)8ethyl5oxo58dihydropyrido(23d)pyrimidine6carboxylicacid
2(4((6CHLOROPYRIDINE3CARBONYL)CARBAMOTHIOYL)PIPERAZIN1YL)8ETHYL5OXOPYRIDO(23D)PYRIMIDINE6CARBOXYLICACID
489398676
CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C4=CN=C(C=C4)Cl)C(=O)O
InChI=1SC21H20ClN7O4Sc12271114(19(32)33)16(30)13102420(2517(13)27)285729(8628)21(34)2618(31)123415(22)23912h34911H258H21H3(H3233)(H263134)
MFCD03295671
ZINC000002192563
ZINC2192563
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