Vitas-M small molecule compound
8-ethyl-5-oxo-2-{4-[(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)carbamothioyl]piperazin-1-yl}-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Catalog ID
STK772396
SMILES CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCN(CC1)C(=S)NC(=O)C12CC3CC(C2)CC(C1)C3
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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 C26H32N6O4S MW 524.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N6O4S/c1-2-30-14-19(22(34)35)20(33)18-13-27-24(28-21(18)30)31-3-5-32(6-4-31)25(37)29-23(36)26-10-15-7-16(11-26)9-17(8-15)12-26/h13-17H,2-12H2,1H3,(H,34,35)(H,29,36,37)InChIKey
XPZUDUQAEAHUKG-UHFFFAOYSA-NSynonyms
632299-42-42(4(((3r5r7r)adamantane1carbonyl)carbamothioyl)piperazin1yl)8ethyl5oxo58dihydropyrido(23d)pyrimidine6carboxylicacid
2(4(ADAMANTANE1CARBONYLCARBAMOTHIOYL)PIPERAZIN1YL)8ETHYL5OXOPYRIDO(23D)PYRIMIDINE6CARBOXYLICACID
632299424
8ethyl5oxo2(4((tricyclo(3311~37~)dec1ylcarbonyl)carbamothioyl)piperazin1yl)58dihydropyrido(23d)pyrimidine6carboxylicacid
CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C45CC6CC(C4)CC(C6)C5)C(=O)O
InChI=1SC26H32N6O4Sc12301419(22(34)35)20(33)18132724(2821(18)30)313532(6431)25(37)2923(36)261015716(1126)917(815)1226h1317H212H21H3(H3435)(H293637)
MFCD03290249
ZINC000009019539
ZINC9019539
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