Vitas-M small molecule compound

ethyl 3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-7-[(thiophen-2-ylcarbonyl)oxy]-4H-chromene-2-carboxylate

Catalog ID
STK844349
SMILES CCOC(=O)c1oc2c(C)c(ccc2c(=O)c1c1nc2c(s1)cccc2)OC(=O)c1cccs1

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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 C25H17NO6S2 MW 491.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17NO6S2/c1-3-30-25(29)22-19(23-26-15-7-4-5-8-17(15)34-23)20(27)14-10-11-16(13(2)21(14)32-22)31-24(28)18-9-6-12-33-18/h4-12H,3H2,1-2H3
InChIKey
MKNUQFLZMCUEOM-UHFFFAOYSA-N
Synonyms
610759-52-9
3BENZOTHIAZOL2YL2(ETHOXYCARBONYL)8METHYL4OXOCHROMEN7YLTHIOPHENE2CARBOXYLATE
610759529
CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)OC(=O)C3=CC=CS3)C)C4=NC5=CC=CC=C5S4
ethyl3(13benzothiazol2yl)8methyl4oxo7((thiophen2ylcarbonyl)oxy)4Hchromene2carboxylate
ETHYL3(13BENZOTHIAZOL2YL)8METHYL4OXO7(THIOPHENE2CARBONYLOXY)CHROMENE2CARBOXYLATE
ETHYL3(BENZO(D)THIAZOL2YL)8METHYL4OXO7((THIOPHENE2CARBONYL)OXY)4HCHROMENE2CARBOXYLATE
InChI=1SC25H17NO6S2c133025(29)2219(232615745817(15)3423)20(27)14101116(13(2)21(14)3222)3124(28)1896123318h412H3H212H3
MFCD03672118
ZINC000002205205
ZINC02205205
ZINC2205205

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Available files

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