Vitas-M small molecule compound

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

Catalog ID
STK004515
SMILES O=C1CC(C)(C)CC2=C1C(c1cccc(c1)OCc1ccccc1)N(C(=O)c1ccccc1)c1c(N2)cccc1

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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 C35H32N2O3 MW 528.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H32N2O3/c1-35(2)21-29-32(31(38)22-35)33(26-16-11-17-27(20-26)40-23-24-12-5-3-6-13-24)37(30-19-10-9-18-28(30)36-29)34(39)25-14-7-4-8-15-25/h3-20,33,36H,21-23H2,1-2H3
InChIKey
UNZSIFQOJYJJCQ-UHFFFAOYSA-N
Synonyms
406914-92-9
10benzoyl11(3(benzyloxy)phenyl)33dimethyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
11(3(benzyloxy)phenyl)33dimethyl10(phenylcarbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
406914929
5benzoyl99dimethyl6(3phenylmethoxyphenyl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)C4=CC=CC=C4)C5=CC(=CC=C5)OCC6=CC=CC=C6)C(=O)C1)C
InChI=1SC35H32N2O3c135(2)212932(31(38)2235)33(2616111727(2026)402324125361324)37(30191091828(30)3629)34(39)25147481525h3203336H2123H212H3
MFCD01921800
O=C1CC(C)(C)CC2=C1C(c1cccc(c1)OCc1ccccc1)N(C(=O)c1ccccc1)c1c(N2)cccc1
STK004515
ZINC000008916666
ZINC000008916667

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Available files

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