Vitas-M small molecule compound

methyl 5-({[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)-1,2,3-thiadiazole-4-carboxylate

Catalog ID
STL236505
SMILES COC(=O)c1nnsc1NC(=O)COc1ccc2c(c1)oc(=O)cc2C

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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 C16H13N3O6S MW 375.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O6S/c1-8-5-13(21)25-11-6-9(3-4-10(8)11)24-7-12(20)17-15-14(16(22)23-2)18-19-26-15/h3-6H,7H2,1-2H3,(H,17,20)
InChIKey
NKXVBILZMLMUCA-UHFFFAOYSA-N
Synonyms

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC3=C(N=NS3)C(=O)OC
InChI=1SC16H13N3O6Sc18513(21)251169(3410(8)11)24712(20)171514(16(22)232)18192615h36H7H212H3(H1720)
methyl5((((4methyl2oxo2Hchromen7yl)oxy)acetyl)amino)123thiadiazole4carboxylate
methyl5((2(4methyl2oxochromen7yl)oxyacetyl)amino)thiadiazole4carboxylate
methyl5(2((4methyl2oxo2Hchromen7yl)oxy)acetamido)123thiadiazole4carboxylate
MFCD12205223
ZINC000020714451
ZINC20714451

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Available files

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