Vitas-M small molecule compound
2-(2H-benzotriazol-2-yl)-4-methylphenyl 2-chloro-5-nitrobenzoate
Catalog ID
STK376937
SMILES Cc1ccc(c(c1)n1nc2c(n1)cccc2)OC(=O)c1cc(ccc1Cl)[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 C20H13ClN4O4 MW 408.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13ClN4O4/c1-12-6-9-19(18(10-12)24-22-16-4-2-3-5-17(16)23-24)29-20(26)14-11-13(25(27)28)7-8-15(14)21/h2-11H,1H3InChIKey
WFAMIVSAMUPPCW-UHFFFAOYSA-NSynonyms
(2(BENZOTRIAZOL2YL)4METHYLPHENYL)2CHLORO5NITROBENZOATE
2(2H123BENZOTRIAZOL2YL)4METHYLPHENYL2CHLORO5NITROBENZOATE
2(2Hbenzotriazol2yl)4methylphenyl2chloro5nitrobenzoate
CC1=CC(=C(C=C1)OC(=O)C2=C(C=CC(=C2)(N+)(=O)(O))Cl)N3N=C4C=CC=CC4=N3
Cc1ccc(c(c1)n1nc2c(n1)cccc2)OC(=O)c1cc(ccc1Cl)(N+)(=O)(O)
InChI=1SC20H13ClN4O4c1126919(18(1012)242216423517(16)2324)2920(26)141113(25(27)28)7815(14)21h211H1H3
MFCD01533345
ZINC000000990771
ZINC00990771
ZINC990771
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