Vitas-M small molecule compound
5-(6-nitro-1,3-benzodioxol-5-yl)-2-(prop-2-en-1-ylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980677
SMILES C=CCSc1nc2NC3=C(C(c2c(=O)[nH]1)c1cc2OCOc2cc1[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 C21H18N4O6S MW 454.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O6S/c1-2-6-32-21-23-19-18(20(27)24-21)16(17-11(22-19)4-3-5-13(17)26)10-7-14-15(31-9-30-14)8-12(10)25(28)29/h2,7-8,16H,1,3-6,9H2,(H2,22,23,24,27)InChIKey
YEMJAVYBIXUUHE-UHFFFAOYSA-NSynonyms
5(6nitro13benzodioxol5yl)2(prop2en1ylsulfanyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
5(6nitro13benzodioxol5yl)2prop2enylsulfanyl1578910hexahydropyrimido(45b)quinoline46dione
C=CCSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC5=C(C=C4(N+)(=O)(O))OCO5)C(=O)CCC3
C=CCSc1nc2NC3=C(C(c2c(=O)(nH)1)c1cc2OCOc2cc1(N+)(=O)(O))C(=O)CCC3
InChI=1SC21H18N4O6Sc1263221231918(20(27)2421)16(1711(2219)43513(17)26)1071415(3193014)812(10)25(28)29h27816H1369H2(H222232427)
MFCD06305152
ZINC000033809966
ZINC000033809967
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