Vitas-M small molecule compound

methyl 6-(2-methylbutan-2-yl)-2-{[(2-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK421126
SMILES COC(=O)c1c(sc2c1CCC(C2)C(CC)(C)C)NC(=O)c1ccccc1[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 C22H26N2O5S MW 430.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O5S/c1-5-22(2,3)13-10-11-15-17(12-13)30-20(18(15)21(26)29-4)23-19(25)14-8-6-7-9-16(14)24(27)28/h6-9,13H,5,10-12H2,1-4H3,(H,23,25)
InChIKey
OMZIKDYQCPRNJZ-UHFFFAOYSA-N
Synonyms

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=CC=C3(N+)(=O)(O)
COC(=O)c1c(sc2c1CCC(C2)C(CC)(C)C)NC(=O)c1ccccc1(N+)(=O)(O)
InChI=1SC22H26N2O5Sc1522(23)1310111517(1213)3020(18(15)21(26)294)2319(25)14867916(14)24(27)28h6913H51012H214H3(H2325)
methyl6(2methylbutan2yl)2(((2nitrophenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6(2methylbutan2yl)2((2nitrobenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD02054990
ZINC000002088088
ZINC000002088089

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Available files

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