Vitas-M small molecule compound

N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[(4-nitrophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Catalog ID
STK987989
SMILES O=C(Nc1sc2c(c1C(=O)NC1CCS(=O)(=O)C1)CCCC2)COc1ccc(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 C21H23N3O7S2 MW 493.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O7S2/c25-18(11-31-15-7-5-14(6-8-15)24(27)28)23-21-19(16-3-1-2-4-17(16)32-21)20(26)22-13-9-10-33(29,30)12-13/h5-8,13H,1-4,9-12H2,(H,22,26)(H,23,25)
InChIKey
MHJVRHXZPNQJMD-UHFFFAOYSA-N
Synonyms
519012-46-5
519012465
C1CCC2=C(C1)C(=C(S2)NC(=O)COC3=CC=C(C=C3)(N+)(=O)(O))C(=O)NC4CCS(=O)(=O)C4
InChI=1SC21H23N3O7S2c2518(1131157514(6815)24(27)28)232119(16312417(16)3221)20(26)221391033(2930)1213h5813H14912H2(H2226)(H2325)
MFCD03663283
N(11dioxidotetrahydrothiophen3yl)2(((4nitrophenoxy)acetyl)amino)4567tetrahydro1benzothiophene3carboxamide
N(11dioxidotetrahydrothiophen3yl)2(2(4nitrophenoxy)acetamido)4567tetrahydrobenzo(b)thiophene3carboxamide
N(11dioxothiolan3yl)2((2(4nitrophenoxy)acetyl)amino)4567tetrahydro1benzothiophene3carboxamide
O=C(Nc1sc2c(c1C(=O)NC1CCS(=O)(=O)C1)CCCC2)COc1ccc(cc1)(N+)(=O)(O)
ZINC000008816944
ZINC000013618687

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Available files

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