Vitas-M small molecule compound
2,2,4-trimethyl-1,2-dihydroquinolin-6-yl (2E)-3-(3-nitrophenyl)prop-2-enoate
Catalog ID
STK136726
SMILES O=C(Oc1ccc2c(c1)C(=CC(N2)(C)C)C)/C=C/c1cccc(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 C21H20N2O4 MW 364.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O4/c1-14-13-21(2,3)22-19-9-8-17(12-18(14)19)27-20(24)10-7-15-5-4-6-16(11-15)23(25)26/h4-13,22H,1-3H3/b10-7+InChIKey
ZGTDJVMRHOKZLT-JXMROGBWSA-NSynonyms
(224TRIMETHYL1HQUINOLIN6YL)(E)3(3NITROPHENYL)PROP2ENOATE
224TRIMETHYL12DIHYDROQUINOLIN6YL(2E)3(3NITROPHENYL)PROP2ENOATE
224TRIMETHYL612DIHYDROQUINOLYL(2E)3(3NITROPHENYL)PROP2ENOATE
CC1=CC(NC2=C1C=C(C=C2)OC(=O)C=CC3=CC(=CC=C3)(N+)(=O)(O))(C)C
InChI=1SC21H20N2O4c1141321(23)22199817(1218(14)19)2720(24)1071554616(1115)23(25)26h41322H13H3b107+
MFCD03903967
O=C(Oc1ccc2c(c1)C(=CC(N2)(C)C)C)C=Cc1cccc(c1)(N+)(=O)(O)
ZINC000001850778
ZINC01850778
ZINC1850778
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