Vitas-M small molecule compound

methyl 3-({N-(2,4-dimethoxyphenyl)-N-[(2-nitrophenyl)sulfonyl]glycyl}amino)-2-methylbenzoate

Catalog ID
STL113491
SMILES COc1ccc(c(c1)OC)N(S(=O)(=O)c1ccccc1[N+](=O)[O-])CC(=O)Nc1cccc(c1C)C(=O)OC

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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 C25H25N3O9S MW 543.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O9S/c1-16-18(25(30)37-4)8-7-9-19(16)26-24(29)15-27(20-13-12-17(35-2)14-22(20)36-3)38(33,34)23-11-6-5-10-21(23)28(31)32/h5-14H,15H2,1-4H3,(H,26,29)
InChIKey
LCAXEEKMHUJRQT-UHFFFAOYSA-N
Synonyms
CC1=C(C=CC=C1NC(=O)CN(C2=C(C=C(C=C2)OC)OC)S(=O)(=O)C3=CC=CC=C3(N+)(=O)(O))C(=O)OC
COc1ccc(c(c1)OC)N(S(=O)(=O)c1ccccc1(N+)(=O)(O))CC(=O)Nc1cccc(c1C)C(=O)OC
METHYL3((2(24DIMETHOXYN(2NITROPHENYL)SULFONYLANILINO)ACETYL)AMINO)2METHYLBENZOATE
methyl3((N(24dimethoxyphenyl)N((2nitrophenyl)sulfonyl)glycyl)amino)2methylbenzoate
Registry IDs
MFCD04361137
ZINC000002859036
ZINC2859036

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Available files

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