Vitas-M small molecule compound

1-[3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one

Catalog ID
STK082291
SMILES CCCCCC(=O)N1c2ccccc2N=C2C(=C(O)CC(C2)c2ccc(c(c2)OC)OC)C1c1cccs1

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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 C31H34N2O4S MW 530.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N2O4S/c1-4-5-6-13-29(35)33-24-11-8-7-10-22(24)32-23-17-21(20-14-15-26(36-2)27(19-20)37-3)18-25(34)30(23)31(33)28-12-9-16-38-28/h7-12,14-16,19,21,31,34H,4-6,13,17-18H2,1-3H3
InChIKey
PRJWXSXABUUHRX-UHFFFAOYSA-N
Synonyms

1(3(34dimethoxyphenyl)1hydroxy11(thiophen2yl)23411tetrahydro10Hdibenzo(be)(14)diazepin10yl)hexan1one
1(3(34dimethoxyphenyl)1hydroxy11(thiophen2yl)34dihydro2Hdibenzo(be)(14)diazepin10(11H)yl)hexan1one
CCCCCC(=O)N1c2ccccc2N=C2C(=C(O)CC(C2)c2ccc(c(c2)OC)OC)C1c1cccs1
MFCD03194814
STK082291
ZINC000100426989
ZINC000100426996

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Available files

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