Vitas-M small molecule compound

3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-chlorobenzoate

Catalog ID
STK550370
SMILES CCc1cc2c(cc1OC(=O)c1ccccc1Cl)oc(c(c2=O)c1nc2c(s1)cccc2)C(F)(F)F

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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 C26H15ClF3NO4S MW 529.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H15ClF3NO4S/c1-2-13-11-15-19(12-18(13)35-25(33)14-7-3-4-8-16(14)27)34-23(26(28,29)30)21(22(15)32)24-31-17-9-5-6-10-20(17)36-24/h3-12H,2H2,1H3
InChIKey
VOTLJRWNPJXETF-UHFFFAOYSA-N
Synonyms
610760-24-2
(3(13BENZOTHIAZOL2YL)6ETHYL4OXO2(TRIFLUOROMETHYL)CHROMEN7YL)2CHLOROBENZOATE
3(13benzothiazol2yl)6ethyl4oxo2(trifluoromethyl)4Hchromen7yl2chlorobenzoate
3(benzo(d)thiazol2yl)6ethyl4oxo2(trifluoromethyl)4Hchromen7yl2chlorobenzoate
3BENZOTHIAZOL2YL6ETHYL4OXO2(TRIFLUOROMETHYL)CHROMEN7YL2CHLOROBENZOATE
610760242
CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=NC4=CC=CC=C4S3)OC(=O)C5=CC=CC=C5Cl
InChI=1SC26H15ClF3NO4Sc1213111519(1218(13)3525(33)14734816(14)27)3423(26(2829)30)21(22(15)32)2431179561020(17)3624h312H2H21H3
MFCD03672859
ZINC000002207398
ZINC2207398

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Available files

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