Vitas-M small molecule compound

N-[(5-{[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide

Catalog ID
STK230532
SMILES COc1ccc(cc1)C(=O)NCc1nnc(n1C)SCC(=O)NC1=NCCS1

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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 C17H20N6O3S2 MW 420.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N6O3S2/c1-23-13(9-19-15(25)11-3-5-12(26-2)6-4-11)21-22-17(23)28-10-14(24)20-16-18-7-8-27-16/h3-6H,7-10H2,1-2H3,(H,19,25)(H,18,20,24)
InChIKey
PWUAXJOVNRXLDZ-UHFFFAOYSA-N
Synonyms

CN1C(=NN=C1SCC(=O)NC2=NCCS2)CNC(=O)C3=CC=C(C=C3)OC
InChI=1SC17H20N6O3S2c12313(91915(25)113512(262)6411)212217(23)281014(24)201618782716h36H710H212H3(H1925)(H182024)
MFCD07790700
N((5((2(45DIHYDRO13THIAZOL2YLAMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)4METHOXYBENZAMIDE
N((5(2(45DIHYDRO13THIAZOL2YLAMINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)4METHOXYBENZAMIDE
N(5((45DIHYDROTHIAZOL2YLCARBAMOYL)METHYLSULFANYL)4METHYL4H(124)TRIAZOL3YLMETHYL)4METHOXYBENZAMIDE
ZINC000009263946
ZINC09263946
ZINC9263946

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Available files

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