Vitas-M small molecule compound
2-{[(E)-{3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}methylidene]amino}-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STL506471
SMILES CCOc1cc(ccc1OCc1ccc(cc1)F)/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCC2
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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 C31H29FN2O3S MW 528.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29FN2O3S/c1-2-36-27-18-22(14-17-26(27)37-20-21-12-15-23(32)16-13-21)19-33-31-29(25-10-6-7-11-28(25)38-31)30(35)34-24-8-4-3-5-9-24/h3-5,8-9,12-19H,2,6-7,10-11,20H2,1H3,(H,34,35)/b33-19+InChIKey
YIKSYNFRBNVIJJ-HNSNBQBZSA-NSynonyms
2(((E)(3ethoxy4((4fluorobenzyl)oxy)phenyl)methylidene)amino)Nphenyl4567tetrahydro1benzothiophene3carboxamide
2((~(E))(3ethoxy4((4fluorophenyl)methoxy)phenyl)methylideneamino)~(N)phenyl4567tetrahydro1benzothiophene3carboxamide
9658391
InChI=1SC31H29FN2O3Sc1236271822(141726(27)372021121523(32)161321)19333129(2510671128(25)3831)30(35)34248435924h35891219H267101120H21H3(H3435)b3319+
MFCD05149883
ZINC000018057487
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