Vitas-M small molecule compound

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

Catalog ID
STK026978
SMILES CCCCCC(=O)N1c2ccccc2NC2=C(C1c1ccc(cc1)C)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 C36H42N2O2 MW 534.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H42N2O2/c1-6-7-8-13-33(40)38-31-12-10-9-11-29(31)37-30-22-27(25-18-20-28(21-19-25)36(3,4)5)23-32(39)34(30)35(38)26-16-14-24(2)15-17-26/h9-12,14-21,27,35,37H,6-8,13,22-23H2,1-5H3
InChIKey
BVOQPWIQWCWRNB-UHFFFAOYSA-N
Synonyms
523992-53-2
3(4(TERTBUTYL)PHENYL)10HEXANOYL11(4METHYLPHENYL)234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
3(4(tertbutyl)phenyl)10hexanoyl11(ptolyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
3(4tertbutylphenyl)10hexanoyl11(4methylphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
523992532
9(4tertbutylphenyl)5hexanoyl6(4methylphenyl)891011tetrahydro6Hbenzo(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=C(C=C5)C
CCCCCC(=O)N1c2ccccc2NC2=C(C1c1ccc(cc1)C)C(=O)CC(C2)c1ccc(cc1)C(C)(C)C
InChI=1SC36H42N2O2c16781333(40)3831121091129(31)37302227(25182028(211925)36(34)5)2332(39)34(30)35(38)26161424(2)151726h9121421273537H68132223H215H3
MFCD03488961
STK026978
ZINC000018285098
ZINC000018285109

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Available files

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