Vitas-M small molecule compound
6-tert-butyl-N-(2-ethylphenyl)-2-{[(E)-(3-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK385166
SMILES CCc1ccccc1NC(=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 C28H31N3O3S MW 489.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O3S/c1-5-19-10-6-7-12-23(19)30-26(32)25-22-14-13-20(28(2,3)4)16-24(22)35-27(25)29-17-18-9-8-11-21(15-18)31(33)34/h6-12,15,17,20H,5,13-14,16H2,1-4H3,(H,30,32)/b29-17+InChIKey
GKBUUUZEYPYQEC-STBIYBPSSA-NSynonyms
6tertbutylN(2ethylphenyl)2(((E)(3nitrophenyl)methylidene)amino)4567tetrahydro1benzothiophene3carboxamide
6tertbutylN(2ethylphenyl)2((E)(3nitrophenyl)methylideneamino)4567tetrahydro1benzothiophene3carboxamide
CCC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)N=CC4=CC(=CC=C4)(N+)(=O)(O)
CCc1ccccc1NC(=O)c1c(N=Cc2cccc(c2)(N+)(=O)(O))sc2c1CCC(C2)C(C)(C)C
InChI=1SC28H31N3O3Sc151910671223(19)3026(32)2522141320(28(23)4)1624(22)3527(25)291718981121(1518)31(33)34h612151720H5131416H214H3(H3032)b2917+
MFCD03274042
ZINC000015946497
ZINC000015946499
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