Vitas-M small molecule compound

2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl]acetamide

Catalog ID
STK877984
SMILES O=C(NCc1cc(ccc1C)c1nn(C)c(=O)c2c1cccc2)CSc1nc2c(s1)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 C26H22N4O2S2 MW 486.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O2S2/c1-16-11-12-17(24-19-7-3-4-8-20(19)25(32)30(2)29-24)13-18(16)14-27-23(31)15-33-26-28-21-9-5-6-10-22(21)34-26/h3-13H,14-15H2,1-2H3,(H,27,31)
InChIKey
XYTBJZGWQIYKNC-UHFFFAOYSA-N
Synonyms
694465-75-3
2(13BENZOTHIAZOL2YLSULFANYL)N((2METHYL5(3METHYL4OXOPHTHALAZIN1YL)PHENYL)METHYL)ACETAMIDE
2(13benzothiazol2ylsulfanyl)N(2methyl5(3methyl4oxo34dihydrophthalazin1yl)benzyl)acetamide
2(benzo(d)thiazol2ylthio)N(2methyl5(3methyl4oxo34dihydrophthalazin1yl)benzyl)acetamide
694465753
CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)CNC(=O)CSC4=NC5=CC=CC=C5S4
InChI=1SC26H22N4O2S2c116111217(2419734820(19)25(32)30(2)2924)1318(16)142723(31)15332628219561022(21)3426h313H1415H212H3(H2731)
MFCD04005728
ZINC000002840769
ZINC02840769
ZINC2840769

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Available files

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