Vitas-M small molecule compound
4-[3-(4-methylphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate
Catalog ID
STK403374
SMILES CC(=O)Oc1ccc(cc1)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(cc1)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 C28H26N2O3 MW 438.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O3/c1-17-7-9-19(10-8-17)21-15-25-27(26(32)16-21)28(30-24-6-4-3-5-23(24)29-25)20-11-13-22(14-12-20)33-18(2)31/h3-14,21,28-30H,15-16H2,1-2H3InChIKey
XTQWHRDCJCPYIW-UHFFFAOYSA-NSynonyms
(4(9(4methylphenyl)7oxo56891011hexahydrobenzo(b)(14)benzodiazepin6yl)phenyl)acetate
4(3(4methylphenyl)1oxo23451011hexahydro1Hdibenzo(be)(14)diazepin11yl)phenylacetate
CC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC=C(C=C5)OC(=O)C)C(=O)C2
InChI=1SC28H26N2O3c1177919(10817)21152527(26(32)1621)28(3024643523(24)2925)20111322(141220)3318(2)31h314212830H1516H212H3
MFCD03489198
ZINC000001434758
ZINC000001434761
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