Vitas-M small molecule compound

3-(4-tert-butylphenyl)-11-(2-chlorophenyl)-10-hexanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK064708
SMILES CCCCCC(=O)N1c2ccccc2NC2=C(C1c1ccccc1Cl)C(=O)CC(C2)c1ccc(cc1)C(C)(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 C35H39ClN2O2 MW 555.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H39ClN2O2/c1-5-6-7-16-32(40)38-30-15-11-10-14-28(30)37-29-21-24(23-17-19-25(20-18-23)35(2,3)4)22-31(39)33(29)34(38)26-12-8-9-13-27(26)36/h8-15,17-20,24,34,37H,5-7,16,21-22H2,1-4H3
InChIKey
MSXXPQZWGAEBAC-UHFFFAOYSA-N
Synonyms

3(4(tertbutyl)phenyl)11(2chlorophenyl)10hexanoyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
3(4(TERTBUTYL)PHENYL)11(2CHLOROPHENYL)10HEXANOYL234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
3(4tertbutylphenyl)11(2chlorophenyl)10hexanoyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(4tertbutylphenyl)6(2chlorophenyl)5hexanoyl891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)C(C)(C)C)NC4=CC=CC=C41)C5=CC=CC=C5Cl
CCCCCC(=O)N1c2ccccc2NC2=C(C1c1ccccc1Cl)C(=O)CC(C2)c1ccc(cc1)C(C)(C)C
InChI=1SC35H39ClN2O2c15671632(40)38301511101428(30)37292124(23171925(201823)35(23)4)2231(39)33(29)34(38)2612891327(26)36h8151720243437H57162122H214H3
MFCD03488966
STK064708
ZINC000003772220
ZINC000097948168

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Available files

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