Vitas-M small molecule compound

2-[(4-chlorobenzyl)sulfanyl]-5-(2,5-dimethoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione

Catalog ID
STK914460
SMILES COc1ccc(cc1C1C2=C(Nc3c1c(=O)[nH]c(n3)SCc1ccc(cc1)Cl)CC(CC2=O)(C)C)OC

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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 C28H28ClN3O4S MW 538.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28ClN3O4S/c1-28(2)12-19-23(20(33)13-28)22(18-11-17(35-3)9-10-21(18)36-4)24-25(30-19)31-27(32-26(24)34)37-14-15-5-7-16(29)8-6-15/h5-11,22H,12-14H2,1-4H3,(H2,30,31,32,34)
InChIKey
JBYLNDKWKYFFRP-UHFFFAOYSA-N
Synonyms

2((4chlorobenzyl)sulfanyl)5(25dimethoxyphenyl)88dimethyl58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2((4chlorophenyl)methylsulfanyl)5(25dimethoxyphenyl)88dimethyl57910tetrahydro1Hpyrimido(45b)quinoline46dione
CC1(CC2=C(C(C3=C(N2)NC(=NC3=O)SCC4=CC=C(C=C4)Cl)C5=C(C=CC(=C5)OC)OC)C(=O)C1)C
COc1ccc(cc1C1C2=C(Nc3c1c(=O)(nH)c(n3)SCc1ccc(cc1)Cl)CC(CC2=O)(C)C)OC
InChI=1SC28H28ClN3O4Sc128(2)121923(20(33)1328)22(181117(353)91021(18)364)2425(3019)3127(3226(24)34)3714155716(29)8615h51122H1214H214H3(H230313234)
MFCD14748297
ZINC000101376388
ZINC000101376390

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Available files

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