Vitas-M small molecule compound
(4S,7S)-4-methyl-2-(4-nitrophenyl)-7-(thiophen-2-yl)-4,7,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5(2H,6H)-dione
Catalog ID
STK334936
SMILES O=C1C[C@H](CC2=C1[C@H](C)c1c(N2)[nH]n(c1=O)c1ccc(cc1)[N+](=O)[O-])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 C21H18N4O4S MW 422.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4S/c1-11-18-15(9-12(10-16(18)26)17-3-2-8-30-17)22-20-19(11)21(27)24(23-20)13-4-6-14(7-5-13)25(28)29/h2-8,11-12,22-23H,9-10H2,1H3/t11-,12-/m0/s1InChIKey
BNVQDUVKZOFSMG-RYUDHWBXSA-NSynonyms
(4S7S)4methyl2(4nitrophenyl)7(thiophen2yl)4789tetrahydro1Hpyrazolo(34b)quinoline35(2H6H)dione
(4S7S)4methyl2(4nitrophenyl)7thiophen2yl146789hexahydropyrazolo(34b)quinoline35dione
CC1C2=C(CC(CC2=O)C3=CC=CS3)NC4=C1C(=O)N(N4)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC21H18N4O4Sc1111815(912(1016(18)26)173283017)222019(11)21(27)24(2320)134614(7513)25(28)29h2811122223H910H21H3t1112m0s1
MFCD13368772
O=C1C(C@H)(CC2=C1(C@H)(C)c1c(N2)(nH)n(c1=O)c1ccc(cc1)(N+)(=O)(O))c1cccs1
ZINC000018197835
ZINC18197835
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