Vitas-M small molecule compound

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

Catalog ID
STK482268
SMILES COC(=O)CSc1nnc(n1C(C)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 C11H17N3O2S MW 255.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H17N3O2S/c1-7(2)14-10(8-4-5-8)12-13-11(14)17-6-9(15)16-3/h7-8H,4-6H2,1-3H3
InChIKey
RNDYOWPJACBWBG-UHFFFAOYSA-N
Synonyms

CC(C)N1C(=NN=C1SCC(=O)OC)C2CC2
InChI=1SC11H17N3O2Sc17(2)1410(8458)121311(14)1769(15)163h78H46H213H3
methyl((5cyclopropyl4(propan2yl)4H124triazol3yl)sulfanyl)acetate
METHYL2((5CYCLOPROPYL4PROPAN2YL124TRIAZOL3YL)SULFANYL)ACETATE
METHYL2(5CYCLOPROPYL4(METHYLETHYL)124TRIAZOL3YLTHIO)ACETATE
MFCD06034481
ZINC000006729493
ZINC06729493
ZINC6729493

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Available files

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