Vitas-M small molecule compound

methyl {[5-cyclopropyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

Catalog ID
STK482283
SMILES COC(=O)CSc1nnc(n1CC=C)C1CC1

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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 C11H15N3O2S MW 253.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H15N3O2S/c1-3-6-14-10(8-4-5-8)12-13-11(14)17-7-9(15)16-2/h3,8H,1,4-7H2,2H3
InChIKey
QGFUYTPSBIIZJM-UHFFFAOYSA-N
Synonyms

COC(=O)CSC1=NN=C(N1CC=C)C2CC2
InChI=1SC11H15N3O2Sc1361410(8458)121311(14)1779(15)162h38H147H22H3
methyl((5cyclopropyl4(prop2en1yl)4H124triazol3yl)sulfanyl)acetate
METHYL2((5CYCLOPROPYL4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETATE
METHYL2(5CYCLOPROPYL4PROP2ENYL124TRIAZOL3YLTHIO)ACETATE
MFCD06034423
ZINC000006730090
ZINC06730090
ZINC6730090

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Available files

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