Vitas-M small molecule compound

5-(1,3-benzodioxol-5-yl)-2-[(4-methylbenzyl)sulfanyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione

Catalog ID
STK918677
SMILES Cc1ccc(cc1)CSc1nc2NC3=C(C(c2c(=O)[nH]1)c1ccc2c(c1)OCO2)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 C26H23N3O4S MW 473.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O4S/c1-14-5-7-15(8-6-14)12-34-26-28-24-23(25(31)29-26)21(22-17(27-24)3-2-4-18(22)30)16-9-10-19-20(11-16)33-13-32-19/h5-11,21H,2-4,12-13H2,1H3,(H2,27,28,29,31)
InChIKey
ZSNGKQIYWMNEQU-UHFFFAOYSA-N
Synonyms
627047-58-9
5(13benzodioxol5yl)2((4methylbenzyl)sulfanyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
5(13benzodioxol5yl)2((4methylphenyl)methylsulfanyl)1578910hexahydropyrimido(45b)quinoline46dione
627047589
CC1=CC=C(C=C1)CSC2=NC(=O)C3=C(N2)NC4=C(C3C5=CC6=C(C=C5)OCO6)C(=O)CCC4
Cc1ccc(cc1)CSc1nc2NC3=C(C(c2c(=O)(nH)1)c1ccc2c(c1)OCO2)C(=O)CCC3
InChI=1SC26H23N3O4Sc1145715(8614)123426282423(25(31)2926)21(2217(2724)32418(22)30)169101920(1116)33133219h51121H241213H21H3(H227282931)
MFCD04443958
ZINC000017041767
ZINC000017041771

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Available files

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