Vitas-M small molecule compound

methyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-1,3-benzothiazole-6-carboxylate

Catalog ID
STK259204
SMILES COC(=O)c1ccc2c(c1)sc(n2)NC(=O)c1ccc2c(c1)OCO2

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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 C17H12N2O5S MW 356.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12N2O5S/c1-22-16(21)10-2-4-11-14(7-10)25-17(18-11)19-15(20)9-3-5-12-13(6-9)24-8-23-12/h2-7H,8H2,1H3,(H,18,19,20)
InChIKey
CCDHHTTUVZJABL-UHFFFAOYSA-N
Synonyms
905809-68-9
905809689
COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC17H12N2O5Sc12216(21)10241114(710)2517(1811)1915(20)9351213(69)2482312h27H8H21H3(H181920)
methyl2((13benzodioxol5ylcarbonyl)amino)13benzothiazole6carboxylate
methyl2(13benzodioxole5carbonylamino)13benzothiazole6carboxylate
MFCD08571771

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Available files

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