Vitas-M small molecule compound
methyl 4-{3-[4-(dimethylamino)phenyl]-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl}benzoate
Catalog ID
STK149991
SMILES COC(=O)c1ccc(cc1)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(cc1)N(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 C29H29N3O3 MW 467.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O3/c1-32(2)22-14-12-18(13-15-22)21-16-25-27(26(33)17-21)28(31-24-7-5-4-6-23(24)30-25)19-8-10-20(11-9-19)29(34)35-3/h4-15,21,28,30-31H,16-17H2,1-3H3InChIKey
VLWNINMFDBJAFO-UHFFFAOYSA-NSynonyms
CN(C)C1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC=C(C=C5)C(=O)OC)C(=O)C2
InChI=1SC29H29N3O3c132(2)22141218(131522)21162527(26(33)1721)28(3124754623(24)3025)1981020(11919)29(34)353h41521283031H1617H213H3
methyl4(3(4(dimethylamino)phenyl)1oxo23451011hexahydro1Hdibenzo(be)(14)diazepin11yl)benzoate
METHYL4(3(4(DIMETHYLAMINO)PHENYL)1OXO234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN11YL)BENZOATE
methyl4(9(4(dimethylamino)phenyl)7oxo56891011hexahydrobenzo(b)(14)benzodiazepin6yl)benzoate
MFCD04221969
ZINC000001459843
ZINC000001459846
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