Vitas-M small molecule compound
2-(2H-benzotriazol-2-yl)-4-methylphenyl 2-methyl-5-[(4-nitrophenyl)carbamoyl]benzenesulfonate
Catalog ID
STK670990
SMILES Cc1ccc(c(c1)n1nc2c(n1)cccc2)OS(=O)(=O)c1cc(ccc1C)C(=O)Nc1ccc(cc1)[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 C27H21N5O6S MW 543.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N5O6S/c1-17-7-14-25(24(15-17)31-29-22-5-3-4-6-23(22)30-31)38-39(36,37)26-16-19(9-8-18(26)2)27(33)28-20-10-12-21(13-11-20)32(34)35/h3-16H,1-2H3,(H,28,33)InChIKey
FNLSEDRJCVPWMM-UHFFFAOYSA-NSynonyms
(2(BENZOTRIAZOL2YL)4METHYLPHENYL)2METHYL5((4NITROPHENYL)CARBAMOYL)BENZENESULFONATE
2(2Hbenzotriazol2yl)4methylphenyl2methyl5((4nitrophenyl)carbamoyl)benzenesulfonate
CC1=CC(=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)(N+)(=O)(O))C)N4N=C5C=CC=CC5=N4
Cc1ccc(c(c1)n1nc2c(n1)cccc2)OS(=O)(=O)c1cc(ccc1C)C(=O)Nc1ccc(cc1)(N+)(=O)(O)
InChI=1SC27H21N5O6Sc11771425(24(1517)312922534623(22)3031)3839(3637)261619(9818(26)2)27(33)2820101221(131120)32(34)35h316H12H3(H2833)
MFCD00746871
ZINC000098050482
ZINC98050482
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