Vitas-M small molecule compound
2-{[(2-chloro-5-nitrophenyl)carbonyl]amino}-6-methyl-N-(naphthalen-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK038552
SMILES CC1CCc2c(C1)sc(c2C(=O)Nc1cccc2c1cccc2)NC(=O)c1cc(ccc1Cl)[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 C27H22ClN3O4S MW 520.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClN3O4S/c1-15-9-11-19-23(13-15)36-27(30-25(32)20-14-17(31(34)35)10-12-21(20)28)24(19)26(33)29-22-8-4-6-16-5-2-3-7-18(16)22/h2-8,10,12,14-15H,9,11,13H2,1H3,(H,29,33)(H,30,32)InChIKey
CCTNQUHQPOOSKG-UHFFFAOYSA-NSynonyms
2(((2chloro5nitrophenyl)carbonyl)amino)6methylN(naphthalen1yl)4567tetrahydro1benzothiophene3carboxamide
2((2chloro5nitrobenzoyl)amino)6methylNnaphthalen1yl4567tetrahydro1benzothiophene3carboxamide
CC1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC4=CC=CC=C43)NC(=O)C5=C(C=CC(=C5)(N+)(=O)(O))Cl
CC1CCc2c(C1)sc(c2C(=O)Nc1cccc2c1cccc2)NC(=O)c1cc(ccc1Cl)(N+)(=O)(O)
InChI=1SC27H22ClN3O4Sc1159111923(1315)3627(3025(32)201417(31(34)35)101221(20)28)24(19)26(33)292284616523718(16)22h2810121415H91113H21H3(H2933)(H3032)
MFCD01989434
STK038552
ZINC000008445664
ZINC000008445665
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