Vitas-M small molecule compound
3-(2-chlorobenzyl)-7-(4-chlorophenyl)-3H-[1,2,4]triazolo[4,3-c][1,2,3]triazolo[4,5-e]pyrimidine
Catalog ID
STK688945
SMILES Clc1ccc(cc1)c1nnc2n1cnc1c2nnn1Cc1ccccc1Cl
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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 C18H11Cl2N7 MW 396.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H11Cl2N7/c19-13-7-5-11(6-8-13)16-23-24-18-15-17(21-10-26(16)18)27(25-22-15)9-12-3-1-2-4-14(12)20/h1-8,10H,9H2InChIKey
HMIKYYIVRRFENG-UHFFFAOYSA-NSynonyms
3(2CHLOROBENZYL)7(4CHLOROPHENYL)3H(124)TRIAZOLO(43C)(123)TRIAZOLO(45E)PYRIMIDINE
C1=CC=C(C(=C1)CN2C3=C(C4=NN=C(N4C=N3)C5=CC=C(C=C5)Cl)N=N2)Cl
InChI=1SC18H11Cl2N7c19137511(6813)162324181517(211026(16)18)27(252215)912312414(12)20h1810H9H2
MFCD07800009
ZINC000004785029
ZINC04785029
ZINC4785029
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