Vitas-M small molecule compound

ethyl {5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}acetate

Catalog ID
STK940574
SMILES CCOC(=O)Cc1nnc([nH]1)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 C14H14N4O2S2 MW 334.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14N4O2S2/c1-2-20-13(19)7-11-16-12(18-17-11)8-21-14-15-9-5-3-4-6-10(9)22-14/h3-6H,2,7-8H2,1H3,(H,16,17,18)
InChIKey
KOJOVCZMOVEVGK-UHFFFAOYSA-N
Synonyms
1087648-46-1
(5(BENZOTHIAZOL2YLSULFANYLMETHYL)2H(124)TRIAZOL3YL)ACETICACIDETHYLESTER
1087648461
CCOC(=O)Cc1(nH)nc(n1)CSc1nc2c(s1)cccc2
CCOC(=O)CC1=NNC(=N1)CSC2=NC3=CC=CC=C3S2
CCOC(=O)Cc1nnc((nH)1)CSc1nc2c(s1)cccc2
ethyl(5((13benzothiazol2ylsulfanyl)methyl)4H124triazol3yl)acetate
ETHYL2(3((BENZO(D)THIAZOL2YLTHIO)METHYL)1H124TRIAZOL5YL)ACETATE
ETHYL2(3(BENZOTHIAZOL2YLTHIOMETHYL)1H124TRIAZOL5YL)ACETATE
ethyl2(5(13benzothiazol2ylsulfanylmethyl)1H124triazol3yl)acetate
InChI=1SC14H14N4O2S2c122013(19)7111612(181711)82114159534610(9)2214h36H278H21H3(H161718)
MFCD18179571
ZINC000032616729
ZINC32616729

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Available files

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