Vitas-M small molecule compound
ethyl 7-(2-chloro-5-nitrophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STK210501
SMILES CCOC(=O)C1=C(Nc2n(C1c1cc(ccc1Cl)[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 C20H16ClN5O4 MW 425.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClN5O4/c1-2-30-19(27)16-17(12-6-4-3-5-7-12)24-20-22-11-23-25(20)18(16)14-10-13(26(28)29)8-9-15(14)21/h3-11,18H,2H2,1H3,(H,22,23,24)InChIKey
VOIVIZXAYCFLKG-UHFFFAOYSA-NSynonyms
727407-46-7727407467
CCOC(=O)C1=C(N=C2N=CNN2C1C3=C(C=CC(=C3)(N+)(=O)(O))Cl)C4=CC=CC=C4
CCOC(=O)C1=C(Nc2n(C1c1cc(ccc1Cl)(N+)(=O)(O))ncn2)c1ccccc1
ETHYL7(2CHLORO5NITROPHENYL)5PHENYL17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
ETHYL7(2CHLORO5NITROPHENYL)5PHENYL478TRIHYDRO124TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
ethyl7(2chloro5nitrophenyl)5phenyl47dihydro(124)triazolo(15a)pyrimidine6carboxylate
InChI=1SC20H16ClN5O4c123019(27)1617(126435712)242022112325(20)18(16)141013(26(28)29)8915(14)21h31118H2H21H3(H222324)
MFCD06193624
ZINC000002231397
ZINC000002231399
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