Vitas-M small molecule compound
5-[3-(benzyloxy)phenyl]-8,8-dimethyl-2-(prop-2-en-1-ylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK918742
SMILES C=CCSc1nc2NC3=C(C(c2c(=O)[nH]1)c1cccc(c1)OCc1ccccc1)C(=O)CC(C3)(C)C
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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 C29H29N3O3S MW 499.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O3S/c1-4-13-36-28-31-26-25(27(34)32-28)23(24-21(30-26)15-29(2,3)16-22(24)33)19-11-8-12-20(14-19)35-17-18-9-6-5-7-10-18/h4-12,14,23H,1,13,15-17H2,2-3H3,(H2,30,31,32,34)InChIKey
DTBJOKMPLGEHEC-UHFFFAOYSA-NSynonyms
5(3(benzyloxy)phenyl)88dimethyl2(prop2en1ylsulfanyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
88dimethyl5(3phenylmethoxyphenyl)2prop2enylsulfanyl57910tetrahydro1Hpyrimido(45b)quinoline46dione
C=CCSc1nc2NC3=C(C(c2c(=O)(nH)1)c1cccc(c1)OCc1ccccc1)C(=O)CC(C3)(C)C
CC1(CC2=C(C(C3=C(N2)NC(=NC3=O)SCC=C)C4=CC(=CC=C4)OCC5=CC=CC=C5)C(=O)C1)C
InChI=1SC29H29N3O3Sc14133628312625(27(34)3228)23(2421(3026)1529(23)1622(24)33)191181220(1419)35171896571018h4121423H1131517H223H3(H230313234)
MFCD04991440
ZINC000006143652
ZINC000006143653
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