Vitas-M small molecule compound
5-[3-(benzyloxy)phenyl]-2-(prop-2-en-1-ylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK918652
SMILES C=CCSc1nc2NC3=C(C(c2c(=O)[nH]1)c1cccc(c1)OCc1ccccc1)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 C27H25N3O3S MW 471.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O3S/c1-2-14-34-27-29-25-24(26(32)30-27)22(23-20(28-25)12-7-13-21(23)31)18-10-6-11-19(15-18)33-16-17-8-4-3-5-9-17/h2-6,8-11,15,22H,1,7,12-14,16H2,(H2,28,29,30,32)InChIKey
DHZIGSQQEIXIPZ-UHFFFAOYSA-NSynonyms
5(3(benzyloxy)phenyl)2(prop2en1ylsulfanyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
5(3phenylmethoxyphenyl)2prop2enylsulfanyl1578910hexahydropyrimido(45b)quinoline46dione
C=CCSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC(=CC=C4)OCC5=CC=CC=C5)C(=O)CCC3
C=CCSc1nc2NC3=C(C(c2c(=O)(nH)1)c1cccc(c1)OCc1ccccc1)C(=O)CCC3
InChI=1SC27H25N3O3Sc12143427292524(26(32)3027)22(2320(2825)1271321(23)31)181061119(1518)3316178435917h268111522H17121416H2(H228293032)
MFCD05990625
ZINC000016346890
ZINC000016346894
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