Vitas-M small molecule compound

3-(1,3-benzodioxol-5-yl)-11-(6-bromo-1,3-benzodioxol-5-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK081465
SMILES O=C1CC(CC2=C1C(Nc1c(N2)cccc1)c1cc2OCOc2cc1Br)c1ccc2c(c1)OCO2

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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 C27H21BrN2O5 MW 533.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21BrN2O5/c28-17-11-25-24(34-13-35-25)10-16(17)27-26-20(29-18-3-1-2-4-19(18)30-27)7-15(8-21(26)31)14-5-6-22-23(9-14)33-12-32-22/h1-6,9-11,15,27,29-30H,7-8,12-13H2
InChIKey
LYSDSVPXIPAAPA-UHFFFAOYSA-N
Synonyms

3(13benzodioxol5yl)11(6bromo13benzodioxol5yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
3(2HBENZO(34D)13DIOXOLEN5YL)11(6BROMO(2HBENZO(D)13DIOXOLAN5YL))234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
9(13benzodioxol5yl)6(6bromo13benzodioxol5yl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
C1C(CC(=O)C2=C1NC3=CC=CC=C3NC2C4=CC5=C(C=C4Br)OCO5)C6=CC7=C(C=C6)OCO7
InChI=1SC27H21BrN2O5c2817112524(34133525)1016(17)272620(2918312419(18)3027)715(821(26)31)14562223(914)33123222h1691115272930H781213H2
MFCD01874779
O=C1CC(CC2=C1C(Nc1c(N2)cccc1)c1cc2OCOc2cc1Br)c1ccc2c(c1)OCO2
STK081465
ZINC000001214054
ZINC000001214061

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Available files

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