Vitas-M small molecule compound
N-(4-bromophenyl)-6-tert-butyl-2-{[(E)-(3-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK385152
SMILES Brc1ccc(cc1)NC(=O)c1c(/N=C/c2cccc(c2)[N+](=O)[O-])sc2c1CCC(C2)C(C)(C)C
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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 C26H26BrN3O3S MW 540.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26BrN3O3S/c1-26(2,3)17-7-12-21-22(14-17)34-25(28-15-16-5-4-6-20(13-16)30(32)33)23(21)24(31)29-19-10-8-18(27)9-11-19/h4-6,8-11,13,15,17H,7,12,14H2,1-3H3,(H,29,31)/b28-15+InChIKey
KDWUEILZCWOQGW-RWPZCVJISA-NSynonyms
Brc1ccc(cc1)NC(=O)c1c(N=Cc2cccc(c2)(N+)(=O)(O))sc2c1CCC(C2)C(C)(C)C
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)Br)N=CC4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC26H26BrN3O3Sc126(23)177122122(1417)3425(28151654620(1316)30(32)33)23(21)24(31)291910818(27)91119h46811131517H71214H213H3(H2931)b2815+
MFCD03274027
N(4bromophenyl)6tertbutyl2(((E)(3nitrophenyl)methylidene)amino)4567tetrahydro1benzothiophene3carboxamide
N(4bromophenyl)6tertbutyl2((E)(3nitrophenyl)methylideneamino)4567tetrahydro1benzothiophene3carboxamide
ZINC000101078634
ZINC000101078638
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