Vitas-M small molecule compound
4-(2-hydroxy-5-nitrophenyl)-2-phenyl-7-(thiophen-2-yl)-4,7,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5(2H,6H)-dione
Catalog ID
STK334764
SMILES O=C1CC(CC2=C1C(c1cc(ccc1O)[N+](=O)[O-])c1c(N2)[nH]n(c1=O)c1ccccc1)c1cccs1
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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 C26H20N4O5S MW 500.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N4O5S/c31-19-9-8-16(30(34)35)13-17(19)22-23-18(11-14(12-20(23)32)21-7-4-10-36-21)27-25-24(22)26(33)29(28-25)15-5-2-1-3-6-15/h1-10,13-14,22,27-28,31H,11-12H2InChIKey
ZDJZOOSOCCJPLA-UHFFFAOYSA-NSynonyms
4(2hydroxy5nitrophenyl)2phenyl7(thiophen2yl)4789tetrahydro1Hpyrazolo(34b)quinoline35(2H6H)dione
4(2hydroxy5nitrophenyl)2phenyl7thiophen2yl146789hexahydropyrazolo(34b)quinoline35dione
C1C(CC(=O)C2=C1NC3=C(C2C4=C(C=CC(=C4)(N+)(=O)(O))O)C(=O)N(N3)C5=CC=CC=C5)C6=CC=CS6
InChI=1SC26H20N4O5Sc31199816(30(34)35)1317(19)222318(1114(1220(23)32)2174103621)272524(22)26(33)29(2825)155213615h110131422272831H1112H2
MFCD09963618
O=C1CC(CC2=C1C(c1cc(ccc1O)(N+)(=O)(O))c1c(N2)(nH)n(c1=O)c1ccccc1)c1cccs1
ZINC000018197467
ZINC000018197472
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