Vitas-M small molecule compound

methyl 2-[({[(1-methyl-1H-pyrazol-3-yl)carbonyl]oxy}acetyl)amino]-1,3-benzothiazole-6-carboxylate

Catalog ID
STK279519
SMILES COC(=O)c1ccc2c(c1)sc(n2)NC(=O)COC(=O)c1ccn(n1)C

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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 C16H14N4O5S MW 374.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4O5S/c1-20-6-5-11(19-20)15(23)25-8-13(21)18-16-17-10-4-3-9(14(22)24-2)7-12(10)26-16/h3-7H,8H2,1-2H3,(H,17,18,21)
InChIKey
LNWWKIGQWKLWIZ-UHFFFAOYSA-N
Synonyms
425656-75-3
425656753
CN1C=CC(=N1)C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC
InChI=1SC16H14N4O5Sc1206511(1920)15(23)25813(21)18161710439(14(22)242)712(10)2616h37H8H212H3(H171821)
METHYL2(((((1METHYL1HPYRAZOL3YL)CARBONYL)OXY)ACETYL)AMINO)13BENZOTHIAZOLE6CARBOXYLATE
methyl2((2(1methylpyrazole3carbonyl)oxyacetyl)amino)13benzothiazole6carboxylate
MFCD01834475
ZINC000000878216
ZINC00878216
ZINC878216

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Available files

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