Vitas-M small molecule compound

11-(4-tert-butylphenyl)-3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK206751
SMILES O=C1CC(C)(C)CC2=C1C(c1ccc(cc1)C(C)(C)C)N(c1c(N2)cccc1)C1OC(=O)c2c1cccc2

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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 C33H34N2O3 MW 506.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H34N2O3/c1-32(2,3)21-16-14-20(15-17-21)29-28-25(18-33(4,5)19-27(28)36)34-24-12-8-9-13-26(24)35(29)30-22-10-6-7-11-23(22)31(37)38-30/h6-17,29-30,34H,18-19H2,1-5H3
InChIKey
NAVOUIBTHXWYGQ-UHFFFAOYSA-N
Synonyms
517868-90-5
11(4(tertbutyl)phenyl)33dimethyl10(3oxo13dihydroisobenzofuran1yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
11(4tertbutylphenyl)33dimethyl10(3oxo13dihydro2benzofuran1yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
3(11(4(TERTBUTYL)PHENYL)33DIMETHYL1OXO234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN10YL)3HYDROISOBENZOFURAN1ONE
517868905
6(4tertbutylphenyl)99dimethyl5(3oxo1H2benzofuran1yl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C4C5=CC=CC=C5C(=O)O4)C6=CC=C(C=C6)C(C)(C)C)C(=O)C1)C
InChI=1SC33H34N2O3c132(23)21161420(151721)292825(1833(45)1927(28)36)342412891326(24)35(29)302210671123(22)31(37)3830h617293034H1819H215H3
MFCD03778830
ZINC000009282654
ZINC000102656221

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Available files

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