Vitas-M small molecule compound

3,3-dimethyl-10-pentanoyl-11-[4-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK398509
SMILES CCCCC(=O)N1C(c2ccc(cc2)C(F)(F)F)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 C27H29F3N2O2 MW 470.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29F3N2O2/c1-4-5-10-23(34)32-21-9-7-6-8-19(21)31-20-15-26(2,3)16-22(33)24(20)25(32)17-11-13-18(14-12-17)27(28,29)30/h6-9,11-14,25,31H,4-5,10,15-16H2,1-3H3
InChIKey
UJUJCRDHJGVOHF-UHFFFAOYSA-N
Synonyms
362589-54-6
33dimethyl10pentanoyl11(4(trifluoromethyl)phenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
362589546
99dimethyl5pentanoyl6(4(trifluoromethyl)phenyl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CCCCC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=C(C=C4)C(F)(F)F
InChI=1SC27H29F3N2O2c1451023(34)3221976819(21)31201526(23)1622(33)24(20)25(32)17111318(141217)27(2829)30h6911142531H45101516H213H3
MFCD01826882
ZINC000008430922
ZINC000008430923

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Available files

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