Vitas-M small molecule compound

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

Catalog ID
STK980791
SMILES CCSc1nc2NC3=C(C(c2c(=O)[nH]1)c1ccc(cc1)[N+](=O)[O-])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 C21H22N4O4S MW 426.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4S/c1-4-30-20-23-18-17(19(27)24-20)15(11-5-7-12(8-6-11)25(28)29)16-13(22-18)9-21(2,3)10-14(16)26/h5-8,15H,4,9-10H2,1-3H3,(H2,22,23,24,27)
InChIKey
YPQSLXIDUBLOER-UHFFFAOYSA-N
Synonyms

2(ethylsulfanyl)88dimethyl5(4nitrophenyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2ethylsulfanyl88dimethyl5(4nitrophenyl)57910tetrahydro1Hpyrimido(45b)quinoline46dione
CCSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC=C(C=C4)(N+)(=O)(O))C(=O)CC(C3)(C)C
CCSc1nc2NC3=C(C(c2c(=O)(nH)1)c1ccc(cc1)(N+)(=O)(O))C(=O)CC(C3)(C)C
InChI=1SC21H22N4O4Sc143020231817(19(27)2420)15(115712(8611)25(28)29)1613(2218)921(23)1014(16)26h5815H4910H213H3(H222232427)
MFCD04457343
ZINC000017316788
ZINC000017316790

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Available files

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