Vitas-M small molecule compound

ethyl 7-(3-nitrophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Catalog ID
STK209055
SMILES CCOC(=O)C1=C(Nc2n(C1c1cccc(c1)[N+](=O)[O-])ncn2)c1ccccc1

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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 C20H17N5O4 MW 391.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N5O4/c1-2-29-19(26)16-17(13-7-4-3-5-8-13)23-20-21-12-22-24(20)18(16)14-9-6-10-15(11-14)25(27)28/h3-12,18H,2H2,1H3,(H,21,22,23)
InChIKey
TUERQQJYVAJYGW-UHFFFAOYSA-N
Synonyms
457951-55-2
457951552
CCOC(=O)C1=C(N=C2N=CNN2C1C3=CC(=CC=C3)(N+)(=O)(O))C4=CC=CC=C4
CCOC(=O)C1=C(Nc2n(C1c1cccc(c1)(N+)(=O)(O))ncn2)c1ccccc1
ETHYL7(3NITROPHENYL)5PHENYL17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
ETHYL7(3NITROPHENYL)5PHENYL478TRIHYDRO124TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
ETHYL7(3NITROPHENYL)5PHENYL47DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
InChI=1SC20H17N5O4c122919(26)1617(137435813)232021122224(20)18(16)14961015(1114)25(27)28h31218H2H21H3(H212223)
MFCD02370551
ZINC000000950601
ZINC000000950602

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.