Vitas-M small molecule compound

N-{2-hydroxy-3-[2-(methylsulfanyl)ethyl]-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-7-yl}-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamide

Catalog ID
STL542407
SMILES CSCCC1NC(=O)c2c(N=C1O)ccc(c2)NC(=O)Cn1nnc2c(c1=O)cccc2

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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 C21H20N6O4S MW 452.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N6O4S/c1-32-9-8-17-20(30)23-15-7-6-12(10-14(15)19(29)24-17)22-18(28)11-27-21(31)13-4-2-3-5-16(13)25-26-27/h2-7,10,17H,8-9,11H2,1H3,(H,22,28)(H,23,30)(H,24,29)
InChIKey
YTBNOBDARVEITB-UHFFFAOYSA-N
Synonyms

~(N)(3(2methylsulfanylethyl)25dioxo34dihydro1~(H)14benzodiazepin7yl)2(4oxo123benzotriazin3yl)acetamide
75356889
MFCD31755611
N(2hydroxy3(2(methylsulfanyl)ethyl)5oxo45dihydro3H14benzodiazepin7yl)2(4oxo123benzotriazin3(4H)yl)acetamide
ZINC000096222000
ZINC000206248237

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Available files

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