Vitas-M small molecule compound
2-(methylsulfanyl)-5-(3-nitrophenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK981037
SMILES CSc1nc2NC3=C(C(c2c(=O)[nH]1)c1cccc(c1)[N+](=O)[O-])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 C18H16N4O4S MW 384.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O4S/c1-27-18-20-16-15(17(24)21-18)13(9-4-2-5-10(8-9)22(25)26)14-11(19-16)6-3-7-12(14)23/h2,4-5,8,13H,3,6-7H2,1H3,(H2,19,20,21,24)InChIKey
VDJWXMHOALKWJW-UHFFFAOYSA-NSynonyms
2(methylsulfanyl)5(3nitrophenyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2methylsulfanyl5(3nitrophenyl)1578910hexahydropyrimido(45b)quinoline46dione
CSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC(=CC=C4)(N+)(=O)(O))C(=O)CCC3
CSc1nc2NC3=C(C(c2c(=O)(nH)1)c1cccc(c1)(N+)(=O)(O))C(=O)CCC3
InChI=1SC18H16N4O4Sc12718201615(17(24)2118)13(942510(89)22(25)26)1411(1916)63712(14)23h245813H367H21H3(H219202124)
MFCD04991310
ZINC000000959823
ZINC000000959824
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