Vitas-M small molecule compound

methyl 2-{[N-(2-methoxy-5-nitrophenyl)-N-(methylsulfonyl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STL072012
SMILES COc1ccc(cc1N(S(=O)(=O)C)CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2)[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 C20H23N3O8S2 MW 497.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O8S2/c1-30-15-9-8-12(23(26)27)10-14(15)22(33(3,28)29)11-17(24)21-19-18(20(25)31-2)13-6-4-5-7-16(13)32-19/h8-10H,4-7,11H2,1-3H3,(H,21,24)
InChIKey
QXZCZFIKXOWZNW-UHFFFAOYSA-N
Synonyms

COC1=C(C=C(C=C1)(N+)(=O)(O))N(CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)S(=O)(=O)C
COc1ccc(cc1N(S(=O)(=O)C)CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2)(N+)(=O)(O)
InChI=1SC20H23N3O8S2c130159812(23(26)27)1014(15)22(33(328)29)1117(24)211918(20(25)312)13645716(13)3219h810H4711H213H3(H2124)
methyl2((2(2methoxyNmethylsulfonyl5nitroanilino)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((N(2methoxy5nitrophenyl)N(methylsulfonyl)glycyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD06629545
ZINC000002883357
ZINC02883357
ZINC2883357

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Available files

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