Vitas-M small molecule compound
5-[4-(dimethylamino)phenyl]-8,8-dimethyl-2-thioxo-2,3,5,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione
Catalog ID
STK981118
SMILES S=c1[nH]c2NC3=C(C(c2c(=O)[nH]1)c1ccc(cc1)N(C)C)C(=O)CC(C3)(C)C
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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 C21H24N4O2S MW 396.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O2S/c1-21(2)9-13-16(14(26)10-21)15(11-5-7-12(8-6-11)25(3)4)17-18(22-13)23-20(28)24-19(17)27/h5-8,15H,9-10H2,1-4H3,(H3,22,23,24,27,28)InChIKey
FSKHQWDUHLJRIT-UHFFFAOYSA-NSynonyms
5(4(dimethylamino)phenyl)88dimethyl2sulfanylidene57910tetrahydro1Hpyrimido(45b)quinoline46dione
5(4(dimethylamino)phenyl)88dimethyl2thioxo2358910hexahydropyrimido(45b)quinoline46(1H7H)dione
CC1(CC2=C(C(C3=C(N2)NC(=S)NC3=O)C4=CC=C(C=C4)N(C)C)C(=O)C1)C
InChI=1SC21H24N4O2Sc121(2)91316(14(26)1021)15(115712(8611)25(3)4)1718(2213)2320(28)2419(17)27h5815H910H214H3(H32223242728)
MFCD02693140
S=c1(nH)c2NC3=C(C(c2c(=O)(nH)1)c1ccc(cc1)N(C)C)C(=O)CC(C3)(C)C
ZINC000006693408
ZINC000006693411
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