Vitas-M small molecule compound
4-(4-hydroxy-3-methoxy-5-nitrophenyl)-7-(thiophen-2-yl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Catalog ID
STK407794
SMILES COc1cc(cc(c1O)[N+](=O)[O-])C1CC(=O)NC2=C1C(=O)CC(C2)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 C20H18N2O6S MW 414.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O6S/c1-28-16-8-10(6-14(20(16)25)22(26)27)12-9-18(24)21-13-5-11(7-15(23)19(12)13)17-3-2-4-29-17/h2-4,6,8,11-12,25H,5,7,9H2,1H3,(H,21,24)InChIKey
NXYZVWAPGPEXGW-UHFFFAOYSA-NSynonyms
4(4hydroxy3methoxy5nitrophenyl)7(thiophen2yl)4678tetrahydroquinoline25(1H3H)dione
4(4hydroxy3methoxy5nitrophenyl)7thiophen2yl134678hexahydroquinoline25dione
COC1=CC(=CC(=C1O)(N+)(=O)(O))C2CC(=O)NC3=C2C(=O)CC(C3)C4=CC=CS4
COc1cc(cc(c1O)(N+)(=O)(O))C1CC(=O)NC2=C1C(=O)CC(C2)c1cccs1
InChI=1SC20H18N2O6Sc12816810(614(20(16)25)22(26)27)12918(24)2113511(715(23)19(12)13)173242917h2468111225H579H21H3(H2124)
MFCD08133484
ZINC000020154634
ZINC000020154640
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