Vitas-M small molecule compound
2-{1-[11-(3,4-dimethoxyphenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethylidene}-1H-indene-1,3(2H)-dione
Catalog ID
STL170827
SMILES COc1ccc(cc1OC)C1C2=C(Nc3c(N1/C(=C/1\C(=O)c4c(C1=O)cccc4)/C)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 C34H32N2O5 MW 548.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32N2O5/c1-19(29-32(38)21-10-6-7-11-22(21)33(29)39)36-25-13-9-8-12-23(25)35-24-17-34(2,3)18-26(37)30(24)31(36)20-14-15-27(40-4)28(16-20)41-5/h6-16,31,35H,17-18H2,1-5H3InChIKey
TXKZJMXZBIQFDE-UHFFFAOYSA-NSynonyms
2(1(11(34dimethoxyphenyl)33dimethyl1oxo1234511hexahydro10Hdibenzo(be)(14)diazepin10yl)ethylidene)1Hindene13(2H)dione
2(1(6(34dimethoxyphenyl)99dimethyl7oxo681011tetrahydrobenzo(b)(14)benzodiazepin5yl)ethylidene)indene13dione
CC(=C1C(=O)C2=CC=CC=C2C1=O)N3C(C4=C(CC(CC4=O)(C)C)NC5=CC=CC=C53)C6=CC(=C(C=C6)OC)OC
COc1ccc(cc1OC)C1C2=C(Nc3c(N1C(=C1C(=O)c4c(C1=O)cccc4)C)cccc3)CC(CC2=O)(C)C
InChI=1SC34H32N2O5c119(2932(38)2110671122(21)33(29)39)362513981223(25)35241734(23)1826(37)30(24)31(36)20141527(404)28(1620)415h6163135H1718H215H3
MFCD01466263
ZINC000000689334
ZINC000000689335
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