Vitas-M small molecule compound
2-{1-[3,3-dimethyl-1-oxo-11-(pyridin-2-yl)-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
STL169429
SMILES O=C1CC(C)(C)CC2=C1C(c1ccccn1)N(c1c(N2)cccc1)/C(=C/1\C(=O)c2c(C1=O)cccc2)/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 C31H27N3O3 MW 489.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N3O3/c1-18(26-29(36)19-10-4-5-11-20(19)30(26)37)34-24-14-7-6-12-21(24)33-23-16-31(2,3)17-25(35)27(23)28(34)22-13-8-9-15-32-22/h4-15,28,33H,16-17H2,1-3H3InChIKey
MWZYTLSBXQUQDV-UHFFFAOYSA-NSynonyms
354550-84-82(1(33dimethyl1oxo11(pyridin2yl)1234511hexahydro10Hdibenzo(be)(14)diazepin10yl)ethylidene)1Hindene13(2H)dione
2(1(99dimethyl7oxo6pyridin2yl681011tetrahydrobenzo(b)(14)benzodiazepin5yl)ethylidene)indene13dione
354550848
CC(=C1C(=O)C2=CC=CC=C2C1=O)N3C(C4=C(CC(CC4=O)(C)C)NC5=CC=CC=C53)C6=CC=CC=N6
InChI=1SC31H27N3O3c118(2629(36)1910451120(19)30(26)37)342414761221(24)33231631(23)1725(35)27(23)28(34)221389153222h4152833H1617H213H3
MFCD01919160
O=C1CC(C)(C)CC2=C1C(c1ccccn1)N(c1c(N2)cccc1)C(=C1C(=O)c2c(C1=O)cccc2)C
ZINC000008456945
ZINC000008456947
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