Vitas-M small molecule compound
2-{[(E)-(3-bromo-4-methoxyphenyl)methylidene]amino}-N-(4-bromophenyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK383429
SMILES COc1ccc(cc1Br)/C=N/c1sc2c(c1C(=O)Nc1ccc(cc1)Br)CCC(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 C27H28Br2N2O2S MW 604.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28Br2N2O2S/c1-27(2,3)17-6-11-20-23(14-17)34-26(30-15-16-5-12-22(33-4)21(29)13-16)24(20)25(32)31-19-9-7-18(28)8-10-19/h5,7-10,12-13,15,17H,6,11,14H2,1-4H3,(H,31,32)/b30-15+InChIKey
BWOUDFPZZWDNEG-FJEPWZHXSA-NSynonyms
2(((E)(3bromo4methoxyphenyl)methylidene)amino)N(4bromophenyl)6tertbutyl4567tetrahydro1benzothiophene3carboxamide
2((E)(3bromo4methoxyphenyl)methylideneamino)N(4bromophenyl)6tertbutyl4567tetrahydro1benzothiophene3carboxamide
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)Br)N=CC4=CC(=C(C=C4)OC)Br
COc1ccc(cc1Br)C=Nc1sc2c(c1C(=O)Nc1ccc(cc1)Br)CCC(C2)C(C)(C)C
InChI=1SC27H28Br2N2O2Sc127(23)176112023(1417)3426(30151651222(334)21(29)1316)24(20)25(32)31199718(28)81019h571012131517H61114H214H3(H3132)b3015+
MFCD03274029
ZINC000097963996
ZINC000097963997
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