Vitas-M small molecule compound

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

Catalog ID
STK149715
SMILES CCNC(=S)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 C26H29N3O3S MW 463.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O3S/c1-5-27-25(33)29-20-9-7-6-8-18(20)28-19-14-26(2,3)15-21(30)22(19)23(29)16-10-12-17(13-11-16)24(31)32-4/h6-13,23,28H,5,14-15H2,1-4H3,(H,27,33)
InChIKey
KQKQWAMHRGXWTD-UHFFFAOYSA-N
Synonyms
577962-39-1
577962391
CCNC(=S)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=C(C=C4)C(=O)OC
InChI=1SC26H29N3O3Sc152725(33)2920976818(20)28191426(23)1521(30)22(19)23(29)16101217(131116)24(31)324h6132328H51415H214H3(H2733)
METHYL4(10((ETHYLAMINO)THIOXOMETHYL)33DIMETHYL1OXO234TRIHYDRO5H11HBENZO(B)BENZO(21F)14DIAZEPIN11YL)BENZOATE
methyl4(10(ethylcarbamothioyl)33dimethyl1oxo23451011hexahydro1Hdibenzo(be)(14)diazepin11yl)benzoate
methyl4(5(ethylcarbamothioyl)99dimethyl7oxo681011tetrahydrobenzo(b)(14)benzodiazepin6yl)benzoate
MFCD03613033
ZINC000018254427
ZINC000018254429

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.