Vitas-M small molecule compound

ethyl 4-(3-nitrophenyl)-2-oxo-6-(1H-1,2,4-triazol-1-ylmethyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STK781948
SMILES CCOC(=O)C1=C(NC(=O)NC1c1cccc(c1)[N+](=O)[O-])Cn1cncn1

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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 C16H16N6O5 MW 372.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N6O5/c1-2-27-15(23)13-12(7-21-9-17-8-18-21)19-16(24)20-14(13)10-4-3-5-11(6-10)22(25)26/h3-6,8-9,14H,2,7H2,1H3,(H2,19,20,24)
InChIKey
SWJJHZXKSIXIKD-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(NC(=O)NC1c1cccc(c1)(N+)(=O)(O))Cn1cncn1
CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)(N+)(=O)(O))CN3C=NC=N3
ETHYL4(3NITROPHENYL)2OXO6(124TRIAZOL1YLMETHYL)34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ethyl4(3nitrophenyl)2oxo6(1H124triazol1ylmethyl)1234tetrahydropyrimidine5carboxylate
InChI=1SC16H16N6O5c122715(23)1312(72191781821)1916(24)2014(13)1043511(610)22(25)26h368914H27H21H3(H2192024)
MFCD06016231
ZINC000012412656
ZINC000012412657

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Available files

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