Vitas-M small molecule compound
methyl [(5Z)-5-{[(3-methylphenyl)carbonyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetate
Catalog ID
STL057735
SMILES COC(=O)Cc1n[nH]/c(=N/C(=O)c2cccc(c2)C)/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 C13H13N3O3S MW 291.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O3S/c1-8-4-3-5-9(6-8)12(18)14-13-16-15-10(20-13)7-11(17)19-2/h3-6H,7H2,1-2H3,(H,14,16,18)InChIKey
FJXDUWRIXQRCLU-UHFFFAOYSA-NSynonyms
713126-18-2713126182
CC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)CC(=O)OC
COC(=O)Cc1n(nH)c(=NC(=O)c2cccc(c2)C)s1
InChI=1SC13H13N3O3Sc184359(68)12(18)1413161510(2013)711(17)192h36H7H212H3(H141618)
methyl((5Z)5(((3methylphenyl)carbonyl)imino)45dihydro134thiadiazol2yl)acetate
METHYL2(5((3METHYLBENZOYL)AMINO)134THIADIAZOL2YL)ACETATE
MFCD05726822
ZINC000017207439
ZINC17207439
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