Vitas-M small molecule compound

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

Catalog ID
STK980768
SMILES CSc1nc2NC3=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 C20H20N4O4S MW 412.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O4S/c1-20(2)8-12-15(13(25)9-20)14(10-4-6-11(7-5-10)24(27)28)16-17(21-12)22-19(29-3)23-18(16)26/h4-7,14H,8-9H2,1-3H3,(H2,21,22,23,26)
InChIKey
FTGSSACNKDXGKV-UHFFFAOYSA-N
Synonyms

88dimethyl2(methylsulfanyl)5(4nitrophenyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
88dimethyl2methylsulfanyl5(4nitrophenyl)57910tetrahydro1Hpyrimido(45b)quinoline46dione
CC1(CC2=C(C(C3=C(N2)NC(=NC3=O)SC)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)C1)C
CSc1nc2NC3=C(C(c2c(=O)(nH)1)c1ccc(cc1)(N+)(=O)(O))C(=O)CC(C3)(C)C
InChI=1SC20H20N4O4Sc120(2)81215(13(25)920)14(104611(7510)24(27)28)1617(2112)2219(293)2318(16)26h4714H89H213H3(H221222326)
MFCD04457327
ZINC000005864461
ZINC000005864570

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Available files

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