Vitas-M small molecule compound

11-{4-[(4-chlorobenzyl)oxy]-3-ethoxyphenyl}-3,3-dimethyl-1-oxo-N-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide

Catalog ID
STK149719
SMILES CCOc1cc(ccc1OCc1ccc(cc1)Cl)C1C2=C(Nc3c(N1C(=S)Nc1ccccc1)cccc3)CC(CC2=O)(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 C37H36ClN3O3S MW 638.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H36ClN3O3S/c1-4-43-33-20-25(16-19-32(33)44-23-24-14-17-26(38)18-15-24)35-34-29(21-37(2,3)22-31(34)42)40-28-12-8-9-13-30(28)41(35)36(45)39-27-10-6-5-7-11-27/h5-20,35,40H,4,21-23H2,1-3H3,(H,39,45)
InChIKey
CAAFGINEZZDPEP-UHFFFAOYSA-N
Synonyms

11(4((4chlorobenzyl)oxy)3ethoxyphenyl)33dimethyl1oxoNphenyl1234511hexahydro10Hdibenzo(be)(14)diazepine10carbothioamide
11(4((4chlorobenzyl)oxy)3ethoxyphenyl)33dimethyl1oxoNphenyl34511tetrahydro1Hdibenzo(be)(14)diazepine10(2H)carbothioamide
6(4((4chlorophenyl)methoxy)3ethoxyphenyl)99dimethyl7oxoNphenyl681011tetrahydrobenzo(b)(14)benzodiazepine5carbothioamide
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC4=CC=CC=C4N2C(=S)NC5=CC=CC=C5)OCC6=CC=C(C=C6)Cl
InChI=1SC37H36ClN3O3Sc1443332025(161932(33)442324141726(38)181524)353429(2137(23)2231(34)42)402812891330(28)41(35)36(45)3927106571127h5203540H42123H213H3(H3945)
MFCD03613039
ZINC000097960012
ZINC000097960013

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Available files

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