Vitas-M small molecule compound

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

Catalog ID
STK741855
SMILES CCCCCC(=O)N1C(c2ccc(cc2)OC(C)C)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 C30H38N2O3 MW 474.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38N2O3/c1-6-7-8-13-27(34)32-25-12-10-9-11-23(25)31-24-18-30(4,5)19-26(33)28(24)29(32)21-14-16-22(17-15-21)35-20(2)3/h9-12,14-17,20,29,31H,6-8,13,18-19H2,1-5H3
InChIKey
RNNSWZCATGZTBS-UHFFFAOYSA-N
Synonyms
337503-24-9
10hexanoyl11(4isopropoxyphenyl)33dimethyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
10hexanoyl33dimethyl11(4(propan2yloxy)phenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
337503249
5hexanoyl99dimethyl6(4propan2yloxyphenyl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CCCCCC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=C(C=C4)OC(C)C
InChI=1SC30H38N2O3c16781327(34)3225121091123(25)31241830(45)1926(33)28(24)29(32)21141622(171521)3520(2)3h9121417202931H68131819H215H3
MFCD02047093
ZINC000016977630
ZINC000016977636

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Available files

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