Vitas-M small molecule compound
2-(butylsulfanyl)-5-phenyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980678
SMILES CCCCSc1nc2NC3=C(C(c2c(=O)[nH]1)c1ccccc1)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 C21H23N3O2S MW 381.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O2S/c1-2-3-12-27-21-23-19-18(20(26)24-21)16(13-8-5-4-6-9-13)17-14(22-19)10-7-11-15(17)25/h4-6,8-9,16H,2-3,7,10-12H2,1H3,(H2,22,23,24,26)InChIKey
HWVJNEOLJAEDCX-UHFFFAOYSA-NSynonyms
628278-32-02(butylsulfanyl)5phenyl58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2butylsulfanyl5phenyl1578910hexahydropyrimido(45b)quinoline46dione
628278320
CCCCSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC=CC=C4)C(=O)CCC3
CCCCSc1nc2NC3=C(C(c2c(=O)(nH)1)c1ccccc1)C(=O)CCC3
InChI=1SC21H23N3O2Sc123122721231918(20(26)2421)16(138546913)1714(2219)1071115(17)25h468916H2371012H21H3(H222232426)
MFCD04443976
ZINC000005868803
ZINC000005868871
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