Vitas-M small molecule compound
11-(4-fluorophenyl)-3,3-dimethyl-10-pentanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STL446115
SMILES CCCCC(=O)N1C(c2ccc(cc2)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 C26H29FN2O2 MW 420.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29FN2O2/c1-4-5-10-23(31)29-21-9-7-6-8-19(21)28-20-15-26(2,3)16-22(30)24(20)25(29)17-11-13-18(27)14-12-17/h6-9,11-14,25,28H,4-5,10,15-16H2,1-3H3InChIKey
WQICXLMOUGTTEG-UHFFFAOYSA-NSynonyms
11(4fluorophenyl)33dimethyl10pentanoyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(4fluorophenyl)99dimethyl5pentanoyl681011tetrahydrobenzo(b)(14)benzodiazepin7one
CCCCC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=C(C=C4)F
InChI=1SC26H29FN2O2c1451023(31)2921976819(21)28201526(23)1622(30)24(20)25(29)17111318(27)141217h6911142528H45101516H213H3
MFCD01448033
ZINC000004414714
ZINC000004414716
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