Vitas-M small molecule compound
8-ethyl-2-(4-{[(3-fluorophenyl)carbonyl]carbamothioyl}piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Catalog ID
STK769499
SMILES CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCN(CC1)C(=S)NC(=O)c1cccc(c1)F
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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 C22H21FN6O4S MW 484.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21FN6O4S/c1-2-27-12-16(20(32)33)17(30)15-11-24-21(25-18(15)27)28-6-8-29(9-7-28)22(34)26-19(31)13-4-3-5-14(23)10-13/h3-5,10-12H,2,6-9H2,1H3,(H,32,33)(H,26,31,34)InChIKey
GGUBBWGJISJJSH-UHFFFAOYSA-NSynonyms
488101-44-6488101446
8ethyl2(4(((3fluorophenyl)carbonyl)carbamothioyl)piperazin1yl)5oxo58dihydropyrido(23d)pyrimidine6carboxylicacid
8ethyl2(4((3fluorobenzoyl)carbamothioyl)piperazin1yl)5oxo58dihydropyrido(23d)pyrimidine6carboxylicacid
8ETHYL2(4((3FLUOROBENZOYL)CARBAMOTHIOYL)PIPERAZIN1YL)5OXOPYRIDO(23D)PYRIMIDINE6CARBOXYLICACID
CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC(=CC=C4)F)C(=O)O
InChI=1SC22H21FN6O4Sc12271216(20(32)33)17(30)15112421(2518(15)27)286829(9728)22(34)2619(31)1343514(23)1013h351012H269H21H3(H3233)(H263134)
MFCD03288579
ZINC000002327306
ZINC2327306
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