Vitas-M small molecule compound
6-tert-butyl-2-{[(2-nitrophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK346254
SMILES O=C(Nc1sc2c(c1C(=O)N)CCC(C2)C(C)(C)C)COc1ccccc1[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 C21H25N3O5S MW 431.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O5S/c1-21(2,3)12-8-9-13-16(10-12)30-20(18(13)19(22)26)23-17(25)11-29-15-7-5-4-6-14(15)24(27)28/h4-7,12H,8-11H2,1-3H3,(H2,22,26)(H,23,25)InChIKey
LIGHJGLLAHJAAW-UHFFFAOYSA-NSynonyms
6tertbutyl2(((2nitrophenoxy)acetyl)amino)4567tetrahydro1benzothiophene3carboxamide
6tertbutyl2((2(2nitrophenoxy)acetyl)amino)4567tetrahydro1benzothiophene3carboxamide
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)COC3=CC=CC=C3(N+)(=O)(O)
InChI=1SC21H25N3O5Sc121(23)12891316(1012)3020(18(13)19(22)26)2317(25)112915754614(15)24(27)28h4712H811H213H3(H22226)(H2325)
MFCD05852253
O=C(Nc1sc2c(c1C(=O)N)CCC(C2)C(C)(C)C)COc1ccccc1(N+)(=O)(O)
ZINC000002884329
ZINC000002884330
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