Vitas-M small molecule compound
2-(4-{[(3,4-difluorophenyl)carbonyl]carbamothioyl}piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Catalog ID
STK539823
SMILES CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCN(CC1)C(=S)NC(=O)c1ccc(c(c1)F)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 C22H20F2N6O4S MW 502.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20F2N6O4S/c1-2-28-11-14(20(33)34)17(31)13-10-25-21(26-18(13)28)29-5-7-30(8-6-29)22(35)27-19(32)12-3-4-15(23)16(24)9-12/h3-4,9-11H,2,5-8H2,1H3,(H,33,34)(H,27,32,35)InChIKey
HREGVEAJKXHWDN-UHFFFAOYSA-NSynonyms
369404-09-12(4(((34difluorophenyl)carbonyl)carbamothioyl)piperazin1yl)8ethyl5oxo58dihydropyrido(23d)pyrimidine6carboxylicacid
2(4((34difluorobenzoyl)carbamothioyl)piperazin1yl)8ethyl5oxo58dihydropyrido(23d)pyrimidine6carboxylicacid
2(4((34DIFLUOROBENZOYL)CARBAMOTHIOYL)PIPERAZIN1YL)8ETHYL5OXOPYRIDO(23D)PYRIMIDINE6CARBOXYLICACID
369404091
CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC(=C(C=C4)F)F)C(=O)O
InChI=1SC22H20F2N6O4Sc12281114(20(33)34)17(31)13102521(2618(13)28)295730(8629)22(35)2719(32)123415(23)16(24)912h34911H258H21H3(H3334)(H273235)
MFCD01994193
ZINC000002316313
ZINC2316313
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