Vitas-M small molecule compound
N'-[(E)-{2-bromo-4-[(4-fluorobenzyl)oxy]-5-methoxyphenyl}methylidene]-2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
Catalog ID
STK387754
SMILES COc1cc(/C=N/NC(=O)c2c3CCCCc3sc2n2c(C)ccc2C)c(cc1OCc1ccc(cc1)F)Br
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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 C30H29BrFN3O3S MW 610.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29BrFN3O3S/c1-18-8-9-19(2)35(18)30-28(23-6-4-5-7-27(23)39-30)29(36)34-33-16-21-14-25(37-3)26(15-24(21)31)38-17-20-10-12-22(32)13-11-20/h8-16H,4-7,17H2,1-3H3,(H,34,36)/b33-16+InChIKey
BLIHDUIAHSHUFC-MHDJOFBISA-NSynonyms
CC1=CC=C(N1C2=C(C3=C(S2)CCCC3)C(=O)NN=CC4=CC(=C(C=C4Br)OCC5=CC=C(C=C5)F)OC)C
COc1cc(C=NNC(=O)c2c3CCCCc3sc2n2c(C)ccc2C)c(cc1OCc1ccc(cc1)F)Br
InChI=1SC30H29BrFN3O3Sc1188919(2)35(18)3028(23645727(23)3930)29(36)343316211425(373)26(1524(21)31)381720101222(32)131120h816H4717H213H3(H3436)b3316+
MFCD01824701
N((E)(2bromo4((4fluorobenzyl)oxy)5methoxyphenyl)methylidene)2(25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carbohydrazide
N((E)(2bromo4((4fluorophenyl)methoxy)5methoxyphenyl)methylideneamino)2(25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carboxamide
ZINC000004196374
ZINC100326059
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