Vitas-M small molecule compound
4-(3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)phenyl 4-methoxybenzoate
Catalog ID
STK099342
SMILES COc1ccc(cc1)C(=O)Oc1ccc(cc1)C1Nc2ccccc2NC2=C1C(=O)CC(C2)(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 C29H28N2O4 MW 468.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O4/c1-29(2)16-24-26(25(32)17-29)27(31-23-7-5-4-6-22(23)30-24)18-8-14-21(15-9-18)35-28(33)19-10-12-20(34-3)13-11-19/h4-15,27,30-31H,16-17H2,1-3H3InChIKey
JSCOTZHDMRVFOS-UHFFFAOYSA-NSynonyms
498536-53-1(4(99dimethyl7oxo681011tetrahydro5Hbenzo(b)(14)benzodiazepin6yl)phenyl)4methoxybenzoate
4(33dimethyl1oxo23451011hexahydro1Hdibenzo(be)(14)diazepin11yl)phenyl4methoxybenzoate
4(33DIMETHYL1OXO234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN11YL)PHENYL4METHOXYBENZOATE
498536531
CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)OC)C(=O)C1)C
COc1ccc(cc1)C(=O)Oc1ccc(cc1)C1Nc2ccccc2NC2=C1C(=O)CC(C2)(C)C
InChI=1SC29H28N2O4c129(2)162426(25(32)1729)27(3123754622(23)3024)1881421(15918)3528(33)19101220(343)131119h415273031H1617H213H3
MFCD03301713
STK099342
ZINC000009424353
ZINC000009425280
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