Vitas-M small molecule compound
5-(4-bromophenyl)-2-(propylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK918657
SMILES CCCSc1nc2NC3=C(C(c2c(=O)[nH]1)c1ccc(cc1)Br)C(=O)CCC3
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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 C20H20BrN3O2S MW 446.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrN3O2S/c1-2-10-27-20-23-18-17(19(26)24-20)15(11-6-8-12(21)9-7-11)16-13(22-18)4-3-5-14(16)25/h6-9,15H,2-5,10H2,1H3,(H2,22,23,24,26)InChIKey
PIVWLZMZYKTSPB-UHFFFAOYSA-NSynonyms
627046-82-65(4bromophenyl)2(propylsulfanyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
5(4bromophenyl)2propylsulfanyl1578910hexahydropyrimido(45b)quinoline46dione
627046826
CCCSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC=C(C=C4)Br)C(=O)CCC3
CCCSc1nc2NC3=C(C(c2c(=O)(nH)1)c1ccc(cc1)Br)C(=O)CCC3
InChI=1SC20H20BrN3O2Sc12102720231817(19(26)2420)15(116812(21)9711)1613(2218)43514(16)25h6915H2510H21H3(H222232426)
MFCD04443945
ZINC000017287202
ZINC000017287206
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