Vitas-M small molecule compound

methyl {[4-(propan-2-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

Catalog ID
STK467819
SMILES COC(=O)CSc1nnc(n1C(C)C)c1cccs1

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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 C12H15N3O2S2 MW 297.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15N3O2S2/c1-8(2)15-11(9-5-4-6-18-9)13-14-12(15)19-7-10(16)17-3/h4-6,8H,7H2,1-3H3
InChIKey
SZNCEPLXOACQSD-UHFFFAOYSA-N
Synonyms

CC(C)N1C(=NN=C1SCC(=O)OC)C2=CC=CS2
InChI=1SC12H15N3O2S2c18(2)1511(9546189)131412(15)19710(16)173h468H7H213H3
methyl((4(propan2yl)5(thiophen2yl)4H124triazol3yl)sulfanyl)acetate
methyl2((4propan2yl5thiophen2yl124triazol3yl)sulfanyl)acetate
METHYL2(4(METHYLETHYL)5(2THIENYL)124TRIAZOL3YLTHIO)ACETATE
MFCD06036052
ZINC000017024345
ZINC17024345

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Available files

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