Vitas-M small molecule compound

N-(4-methyl-1,3-benzothiazol-2-yl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide

Catalog ID
STK293584
SMILES O=C(Nc1sc2c(n1)c(C)ccc2)CSc1n[nH]cn1

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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 C12H11N5OS2 MW 305.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11N5OS2/c1-7-3-2-4-8-10(7)16-12(20-8)15-9(18)5-19-11-13-6-14-17-11/h2-4,6H,5H2,1H3,(H,13,14,17)(H,15,16,18)
InChIKey
XNQBTYWFPRVUNA-UHFFFAOYSA-N
Synonyms

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CSC3=NC=NN3
InChI=1SC12H11N5OS2c17324810(7)1612(208)159(18)51911136141711h246H5H21H3(H131417)(H151618)
MFCD09785932
N(4methyl13benzothiazol2yl)2(1H124triazol3ylsulfanyl)acetamide
N(4methyl13benzothiazol2yl)2(1H124triazol5ylsulfanyl)acetamide
O=C(Nc1sc2c(n1)c(C)ccc2)CSc1n(nH)cn1
ZINC000013945889
ZINC13945889

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Available files

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