Vitas-M small molecule compound

3-[(5-chloro-2-methoxybenzyl)sulfanyl]-4H-1,2,4-triazole

Catalog ID
STL342259
SMILES COc1ccc(cc1CSc1nnc[nH]1)Cl

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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 C10H10ClN3OS MW 255.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H10ClN3OS/c1-15-9-3-2-8(11)4-7(9)5-16-10-12-6-13-14-10/h2-4,6H,5H2,1H3,(H,12,13,14)
InChIKey
KGSNCWBNHYYEEA-UHFFFAOYSA-N
Synonyms
587012-33-7
3((5chloro2methoxybenzyl)sulfanyl)4H124triazole
3((5CHLORO2METHOXYBENZYL)THIO)4H124TRIAZOLE
3(5CHLORO2METHOXYBENZYLSULFANYL)4H(124)TRIAZOLE
5((5CHLORO2METHOXYPHENYL)METHYLSULFANYL)1H124TRIAZOLE
587012337
COC1=C(C=C(C=C1)Cl)CSC2=NC=NN2
COc1ccc(cc1CSc1nnc(nH)1)Cl
InChI=1SC10H10ClN3OSc1159328(11)47(9)51610126131410h246H5H21H3(H121314)
MFCD03878357
ZINC000013865240
ZINC13865240

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Available files

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