Vitas-M small molecule compound
1-(1-methyl-1H-benzotriazol-5-yl)-3-(3-nitrophenyl)urea
Catalog ID
STK155350
SMILES O=C(Nc1cccc(c1)[N+](=O)[O-])Nc1ccc2c(c1)nnn2C
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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 C14H12N6O3 MW 312.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12N6O3/c1-19-13-6-5-10(8-12(13)17-18-19)16-14(21)15-9-3-2-4-11(7-9)20(22)23/h2-8H,1H3,(H2,15,16,21)InChIKey
LOTLBEUXZIPEGU-UHFFFAOYSA-NSynonyms
1(1METHYL1HBENZOTRIAZOL5YL)3(3NITROPHENYL)UREA
1(1METHYLBENZOTRIAZOL5YL)3(3NITROPHENYL)UREA
CN1C2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)(N+)(=O)(O))N=N1
InChI=1SC14H12N6O3c119136510(812(13)171819)1614(21)15932411(79)20(22)23h28H1H3(H2151621)
MFCD03997653
O=C(Nc1cccc(c1)(N+)(=O)(O))Nc1ccc2c(c1)nnn2C
ZINC000000470351
ZINC00470351
ZINC470351
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