Vitas-M small molecule compound
2-(benzylsulfanyl)-5-(2-methoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980695
SMILES COc1ccccc1C1C2=C(CCCC2=O)Nc2c1c(=O)[nH]c(n2)SCc1ccccc1
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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 C25H23N3O3S MW 445.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O3S/c1-31-19-13-6-5-10-16(19)20-21-17(11-7-12-18(21)29)26-23-22(20)24(30)28-25(27-23)32-14-15-8-3-2-4-9-15/h2-6,8-10,13,20H,7,11-12,14H2,1H3,(H2,26,27,28,30)InChIKey
NJEOOIHFPZBLPL-UHFFFAOYSA-NSynonyms
537043-21-32(benzylsulfanyl)5(2methoxyphenyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2benzylsulfanyl5(2methoxyphenyl)1578910hexahydropyrimido(45b)quinoline46dione
537043213
COC1=CC=CC=C1C2C3=C(CCCC3=O)NC4=C2C(=O)N=C(N4)SCC5=CC=CC=C5
COc1ccccc1C1C2=C(CCCC2=O)Nc2c1c(=O)(nH)c(n2)SCc1ccccc1
InChI=1SC25H23N3O3Sc1311913651016(19)202117(1171218(21)29)262322(20)24(30)2825(2723)3214158324915h268101320H7111214H21H3(H226272830)
MFCD04457264
ZINC000009283114
ZINC000009283115
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