Vitas-M small molecule compound

methyl [(5E)-5-{[(2-chlorophenyl)carbonyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetate

Catalog ID
STK568278
SMILES COC(=O)Cc1n[nH]/c(=N\C(=O)c2ccccc2Cl)/s1

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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 C12H10ClN3O3S MW 311.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10ClN3O3S/c1-19-10(17)6-9-15-16-12(20-9)14-11(18)7-4-2-3-5-8(7)13/h2-5H,6H2,1H3,(H,14,16,18)
InChIKey
VIUOMJYTWJDTMB-UHFFFAOYSA-N
Synonyms
714291-90-4
714291904
COC(=O)CC1=NN=C(S1)NC(=O)C2=CC=CC=C2Cl
COC(=O)Cc1n(nH)c(=NC(=O)c2ccccc2Cl)s1
InChI=1SC12H10ClN3O3Sc11910(17)69151612(209)1411(18)742358(7)13h25H6H21H3(H141618)
methyl((5E)5(((2chlorophenyl)carbonyl)imino)45dihydro134thiadiazol2yl)acetate
METHYL2(5((2CHLOROBENZOYL)AMINO)134THIADIAZOL2YL)ACETATE
MFCD05730488
ZINC000009349921
ZINC09349921
ZINC9349921

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Available files

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