Vitas-M small molecule compound
11-{4-[(4-chlorobenzyl)oxy]-3-ethoxyphenyl}-3-phenyl-10-(thiophen-2-ylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK677931
SMILES CCOc1cc(ccc1OCc1ccc(cc1)Cl)C1C2=C(CC(CC2=O)c2ccccc2)Nc2c(N1C(=O)c1cccs1)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 C39H33ClN2O4S MW 661.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H33ClN2O4S/c1-2-45-35-23-27(16-19-34(35)46-24-25-14-17-29(40)18-15-25)38-37-31(21-28(22-33(37)43)26-9-4-3-5-10-26)41-30-11-6-7-12-32(30)42(38)39(44)36-13-8-20-47-36/h3-20,23,28,38,41H,2,21-22,24H2,1H3InChIKey
GEGDYHYQKVHQKW-UHFFFAOYSA-NSynonyms
11(4((4chlorobenzyl)oxy)3ethoxyphenyl)3phenyl10(thiophen2ylcarbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(4((4chlorophenyl)methoxy)3ethoxyphenyl)9phenyl5(thiophene2carbonyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC5=CC=CC=C5N2C(=O)C6=CC=CS6)OCC7=CC=C(C=C7)Cl
InChI=1SC39H33ClN2O4Sc1245352327(161934(35)462425141729(40)181525)383731(2128(2233(37)43)2694351026)413011671232(30)42(38)39(44)36138204736h32023283841H2212224H21H3
MFCD03036094
ZINC000033354658
ZINC000033354669
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