Vitas-M small molecule compound

methyl 4-(3,3-dimethyl-1-oxo-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate

Catalog ID
STK149713
SMILES CCC(=O)N1C(c2ccc(cc2)C(=O)OC)C2=C(Nc3c1cccc3)CC(CC2=O)(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 C26H28N2O4 MW 432.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O4/c1-5-22(30)28-20-9-7-6-8-18(20)27-19-14-26(2,3)15-21(29)23(19)24(28)16-10-12-17(13-11-16)25(31)32-4/h6-13,24,27H,5,14-15H2,1-4H3
InChIKey
OKIUYZMDIWMXOC-UHFFFAOYSA-N
Synonyms
693232-53-0
693232530
CCC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=C(C=C4)C(=O)OC
InChI=1SC26H28N2O4c1522(30)2820976818(20)27191426(23)1521(29)23(19)24(28)16101217(131116)25(31)324h6132427H51415H214H3
methyl4(33dimethyl1oxo10propanoyl23451011hexahydro1Hdibenzo(be)(14)diazepin11yl)benzoate
METHYL4(33DIMETHYL1OXO10PROPANOYL234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN11YL)BENZOATE
methyl4(33dimethyl1oxo10propionyl23451011hexahydro1Hdibenzo(be)(14)diazepin11yl)benzoate
methyl4(99dimethyl7oxo5propanoyl681011tetrahydrobenzo(b)(14)benzodiazepin6yl)benzoate
MFCD03613031
ZINC000018254423
ZINC000018254425

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Available files

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