Vitas-M small molecule compound
4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-N'-{(E)-[4-(thietan-3-yloxy)phenyl]methylidene}benzohydrazide
Catalog ID
STL280550
SMILES O=C(c1ccc(cc1)CN1CCc2c(C1)cccc2)N/N=C/c1ccc(cc1)OC1CSC1
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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 C27H27N3O2S MW 457.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O2S/c31-27(29-28-15-20-7-11-25(12-8-20)32-26-18-33-19-26)23-9-5-21(6-10-23)16-30-14-13-22-3-1-2-4-24(22)17-30/h1-12,15,26H,13-14,16-19H2,(H,29,31)/b28-15+InChIKey
UVXLEUKHZQFLNH-RWPZCVJISA-NSynonyms
4(34dihydro1Hisoquinolin2ylmethyl)N((E)(4(thietan3yloxy)phenyl)methylideneamino)benzamide
4(34dihydroisoquinolin2(1H)ylmethyl)N((E)(4(thietan3yloxy)phenyl)methylidene)benzohydrazide
C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NN=CC4=CC=C(C=C4)OC5CSC5
InChI=1SC27H27N3O2Sc3127(2928152071125(12820)322618331926)239521(61023)1630141322312424(22)1730h1121526H13141619H2(H2931)b2815+
MFCD02048153
O=C(c1ccc(cc1)CN1CCc2c(C1)cccc2)NN=Cc1ccc(cc1)OC1CSC1
ZINC000019880335
ZINC33343674
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