Vitas-M small molecule compound
2-chloro-N-[2-(4-methoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]-4-nitrobenzamide
Catalog ID
STK020656
SMILES COc1ccc(cc1)n1nc2c(n1)cc(c(c2)NC(=O)c1ccc(cc1Cl)[N+](=O)[O-])C
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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 C21H16ClN5O4 MW 437.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClN5O4/c1-12-9-19-20(25-26(24-19)13-3-6-15(31-2)7-4-13)11-18(12)23-21(28)16-8-5-14(27(29)30)10-17(16)22/h3-11H,1-2H3,(H,23,28)InChIKey
OIUSXAISOMKIAM-UHFFFAOYSA-NSynonyms
2CHLORON(2(4METHOXYPHENYL)6METHYL2HBENZOTRIAZOL5YL)4NITROBENZAMIDE
2CHLORON(2(4METHOXYPHENYL)6METHYLBENZOTRIAZOL5YL)4NITROBENZAMIDE
CC1=CC2=NN(N=C2C=C1NC(=O)C3=C(C=C(C=C3)(N+)(=O)(O))Cl)C4=CC=C(C=C4)OC
COc1ccc(cc1)n1nc2c(n1)cc(c(c2)NC(=O)c1ccc(cc1Cl)(N+)(=O)(O))C
InChI=1SC21H16ClN5O4c11291920(2526(2419)133615(312)7413)1118(12)2321(28)168514(27(29)30)1017(16)22h311H12H3(H2328)
MFCD03109711
STK020656
ZINC000001167586
ZINC01167586
ZINC1167586
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