Vitas-M small molecule compound
3-butyl-10-(3-chlorophenyl)-7-nitropyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
Catalog ID
STL371989
SMILES CCCCn1c(=O)nc2c(c1=O)cc1c(n2c2cccc(c2)Cl)ccc(c1)[N+](=O)[O-]
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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 C21H17ClN4O4 MW 424.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN4O4/c1-2-3-9-24-20(27)17-11-13-10-16(26(29)30)7-8-18(13)25(19(17)23-21(24)28)15-6-4-5-14(22)12-15/h4-8,10-12H,2-3,9H2,1H3InChIKey
QPPFBTSWHMWBIW-UHFFFAOYSA-NSynonyms
3butyl10(3chlorophenyl)7nitropyrimido(45b)quinoline24(3H10H)dione
3BUTYL10(3CHLOROPHENYL)7NITROPYRIMIDO(45B)QUINOLINE24DIONE
CCCCN1C(=O)C2=CC3=C(C=CC(=C3)(N+)(=O)(O))N(C2=NC1=O)C4=CC(=CC=C4)Cl
CCCCn1c(=O)nc2c(c1=O)cc1c(n2c2cccc(c2)Cl)ccc(c1)(N+)(=O)(O)
InChI=1SC21H17ClN4O4c12392420(27)1711131016(26(29)30)7818(13)25(19(17)2321(24)28)1564514(22)1215h481012H239H21H3
MFCD04276545
ZINC000003771651
ZINC3771651
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