Vitas-M small molecule compound
6-hexanoyl-3,3-dimethyl-7-(phenylcarbonyl)-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK149806
SMILES CCCCCC(=O)c1c2NC3=C(C=Nc2ccc1C(=O)c1ccccc1)C(=O)CC(C3)(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 C28H30N2O3 MW 442.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O3/c1-4-5-7-12-23(31)25-19(27(33)18-10-8-6-9-11-18)13-14-21-26(25)30-22-15-28(2,3)16-24(32)20(22)17-29-21/h6,8-11,13-14,17,30H,4-5,7,12,15-16H2,1-3H3InChIKey
HURJGCKPFBJUSM-UHFFFAOYSA-NSynonyms
2benzoyl1hexanoyl99dimethyl1011dihydro8Hbenzo(b)(14)benzodiazepin7one
6hexanoyl33dimethyl7(phenylcarbonyl)2345tetrahydro1Hdibenzo(be)(14)diazepin1one
6HEXANOYL33DIMETHYL7(PHENYLCARBONYL)234TRIHYDRO5HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
CCCCCC(=O)C1=C(C=CC2=C1NC3=C(C=N2)C(=O)CC(C3)(C)C)C(=O)C4=CC=CC=C4
InChI=1SC28H30N2O3c14571223(31)2519(27(33)18108691118)13142126(25)30221528(23)1624(32)20(22)172921h681113141730H457121516H213H3
MFCD03759834
ZINC000009720984
ZINC09720984
ZINC9720984
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