Vitas-M small molecule compound
5-(2-methoxyphenyl)-8,8-dimethyl-2-(methylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980755
SMILES COc1ccccc1C1C2=C(Nc3c1c(=O)[nH]c(n3)SC)CC(CC2=O)(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 C21H23N3O3S MW 397.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O3S/c1-21(2)9-12-16(13(25)10-21)15(11-7-5-6-8-14(11)27-3)17-18(22-12)23-20(28-4)24-19(17)26/h5-8,15H,9-10H2,1-4H3,(H2,22,23,24,26)InChIKey
JKOKAELQVQPKOA-UHFFFAOYSA-NSynonyms
537044-10-35(2methoxyphenyl)88dimethyl2(methylsulfanyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
5(2methoxyphenyl)88dimethyl2methylsulfanyl57910tetrahydro1Hpyrimido(45b)quinoline46dione
537044103
CC1(CC2=C(C(C3=C(N2)NC(=NC3=O)SC)C4=CC=CC=C4OC)C(=O)C1)C
COc1ccccc1C1C2=C(Nc3c1c(=O)(nH)c(n3)SC)CC(CC2=O)(C)C
InChI=1SC21H23N3O3Sc121(2)91216(13(25)1021)15(11756814(11)273)1718(2212)2320(284)2419(17)26h5815H910H214H3(H222232426)
MFCD04457329
ZINC000005864475
ZINC000005864587
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