Vitas-M small molecule compound

3-(4-methylphenyl)-10-[(2E)-3-phenylprop-2-enoyl]-11-[4-(propan-2-yloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK677934
SMILES CC(Oc1ccc(cc1)C1C2=C(Nc3c(N1C(=O)/C=C/c1ccccc1)cccc3)CC(CC2=O)c1ccc(cc1)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 C38H36N2O3 MW 568.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H36N2O3/c1-25(2)43-31-20-18-29(19-21-31)38-37-33(23-30(24-35(37)41)28-16-13-26(3)14-17-28)39-32-11-7-8-12-34(32)40(38)36(42)22-15-27-9-5-4-6-10-27/h4-22,25,30,38-39H,23-24H2,1-3H3/b22-15+
InChIKey
FWIODRQTOLXIMU-PXLXIMEGSA-N
Synonyms

3(4methylphenyl)10((2E)3phenylprop2enoyl)11(4(propan2yloxy)phenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(4methylphenyl)5((E)3phenylprop2enoyl)6(4propan2yloxyphenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CC(Oc1ccc(cc1)C1C2=C(Nc3c(N1C(=O)C=Cc1ccccc1)cccc3)CC(CC2=O)c1ccc(cc1)C)C
CC1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C=CC5=CC=CC=C5)C6=CC=C(C=C6)OC(C)C)C(=O)C2
InChI=1SC38H36N2O3c125(2)4331201829(192131)383733(2330(2435(37)41)28161326(3)141728)393211781234(32)40(38)36(42)22152795461027h42225303839H2324H213H3b2215+
MFCD03036103
ZINC000100109930
ZINC000100109944

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Available files

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