Vitas-M small molecule compound
2-(butan-2-ylsulfanyl)-8,8-dimethyl-5-(pyridin-3-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK918777
SMILES CCC(Sc1nc2NC3=C(C(c2c(=O)[nH]1)c1cccnc1)C(=O)CC(C3)(C)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 C22H26N4O2S MW 410.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O2S/c1-5-12(2)29-21-25-19-18(20(28)26-21)16(13-7-6-8-23-11-13)17-14(24-19)9-22(3,4)10-15(17)27/h6-8,11-12,16H,5,9-10H2,1-4H3,(H2,24,25,26,28)InChIKey
ITVFMEDENRGAKJ-UHFFFAOYSA-NSynonyms
631854-53-02(butan2ylsulfanyl)88dimethyl5(pyridin3yl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2butan2ylsulfanyl88dimethyl5pyridin3yl57910tetrahydro1Hpyrimido(45b)quinoline46dione
631854530
CCC(C)SC1=NC(=O)C2=C(N1)NC3=C(C2C4=CN=CC=C4)C(=O)CC(C3)(C)C
CCC(Sc1nc2NC3=C(C(c2c(=O)(nH)1)c1cccnc1)C(=O)CC(C3)(C)C)C
InChI=1SC22H26N4O2Sc1512(2)2921251918(20(28)2621)16(13768231113)1714(2419)922(34)1015(17)27h68111216H5910H214H3(H224252628)
MFCD04444020
ZINC000005931320
ZINC000005931425
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