Vitas-M small molecule compound

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

Catalog ID
STK868339
SMILES CC(CC(=O)N1C(c2ccc3c(c2)OCO3)C2=C(Nc3c1cccc3)CC(CC2=O)(C)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 C27H30N2O4 MW 446.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O4/c1-16(2)11-24(31)29-20-8-6-5-7-18(20)28-19-13-27(3,4)14-21(30)25(19)26(29)17-9-10-22-23(12-17)33-15-32-22/h5-10,12,16,26,28H,11,13-15H2,1-4H3
InChIKey
OLWBKSRHNUZJJA-UHFFFAOYSA-N
Synonyms
332898-84-7
11(13benzodioxol5yl)33dimethyl10(3methylbutanoyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
11(benzo(d)(13)dioxol5yl)33dimethyl10(3methylbutanoyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
332898847
6(13benzodioxol5yl)99dimethyl5(3methylbutanoyl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC(C)CC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC5=C(C=C4)OCO5
InChI=1SC27H30N2O4c116(2)1124(31)2920865718(20)28191327(34)1421(30)25(19)26(29)179102223(1217)33153222h51012162628H111315H214H3
MFCD01921643
ZINC000009042936
ZINC000017028201

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Available files

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