Vitas-M small molecule compound
5-(3-bromophenyl)-2-(ethylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK981041
SMILES CCSc1nc2NC3=C(C(c2c(=O)[nH]1)c1cccc(c1)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 C19H18BrN3O2S MW 432.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18BrN3O2S/c1-2-26-19-22-17-16(18(25)23-19)14(10-5-3-6-11(20)9-10)15-12(21-17)7-4-8-13(15)24/h3,5-6,9,14H,2,4,7-8H2,1H3,(H2,21,22,23,25)InChIKey
CFENGHJPJJQXTH-UHFFFAOYSA-NSynonyms
5(3bromophenyl)2(ethylsulfanyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
5(3bromophenyl)2ethylsulfanyl1578910hexahydropyrimido(45b)quinoline46dione
CCSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC(=CC=C4)Br)C(=O)CCC3
CCSc1nc2NC3=C(C(c2c(=O)(nH)1)c1cccc(c1)Br)C(=O)CCC3
InChI=1SC19H18BrN3O2Sc122619221716(18(25)2319)14(1053611(20)910)1512(2117)74813(15)24h356914H2478H21H3(H221222325)
MFCD04213344
ZINC000001121093
ZINC000001121095
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