Vitas-M small molecule compound
8,8-dimethyl-2-(methylsulfanyl)-5-[4-(propan-2-yl)phenyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980754
SMILES CSc1nc2NC3=C(C(c2c(=O)[nH]1)c1ccc(cc1)C(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 C23H27N3O2S MW 409.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O2S/c1-12(2)13-6-8-14(9-7-13)17-18-15(10-23(3,4)11-16(18)27)24-20-19(17)21(28)26-22(25-20)29-5/h6-9,12,17H,10-11H2,1-5H3,(H2,24,25,26,28)InChIKey
DVKYETOFKMNDRP-UHFFFAOYSA-NSynonyms
88dimethyl2(methylsulfanyl)5(4(propan2yl)phenyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
88dimethyl2methylsulfanyl5(4propan2ylphenyl)57910tetrahydro1Hpyrimido(45b)quinoline46dione
CC(C)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC4=C2C(=O)N=C(N4)SC
CSc1nc2NC3=C(C(c2c(=O)(nH)1)c1ccc(cc1)C(C)C)C(=O)CC(C3)(C)C
InChI=1SC23H27N3O2Sc112(2)136814(9713)171815(1023(34)1116(18)27)242019(17)21(28)2622(2520)295h691217H1011H215H3(H224252628)
MFCD04457335
ZINC000005862707
ZINC000005977346
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