Vitas-M small molecule compound

methyl [11-(cyclohex-3-en-1-yl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetate

Catalog ID
STK262391
SMILES COC(=O)CN1C(C2CCC=CC2)C2=C(Nc3c1cccc3)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 C24H30N2O3 MW 394.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N2O3/c1-24(2)13-18-22(20(27)14-24)23(16-9-5-4-6-10-16)26(15-21(28)29-3)19-12-8-7-11-17(19)25-18/h4-5,7-8,11-12,16,23,25H,6,9-10,13-15H2,1-3H3
InChIKey
OSIKFLRVCQWUGW-UHFFFAOYSA-N
Synonyms

CC1(CC2=C(C(N(C3=CC=CC=C3N2)CC(=O)OC)C4CCC=CC4)C(=O)C1)C
InChI=1SC24H30N2O3c124(2)131822(20(27)1424)23(1695461016)26(1521(28)293)1912871117(19)2518h45781112162325H69101315H213H3
methyl(11(cyclohex3en1yl)33dimethyl1oxo1234511hexahydro10Hdibenzo(be)(14)diazepin10yl)acetate
METHYL2(11CYCLOHEX3ENYL33DIMETHYL1OXO234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN10YL)ACETATE
methyl2(6cyclohex3en1yl99dimethyl7oxo681011tetrahydrobenzo(b)(14)benzodiazepin5yl)acetate
MFCD08547695
ZINC000009482714
ZINC000226619534

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Available files

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