Vitas-M small molecule compound

3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl 4-tert-butylbenzoate

Catalog ID
STK888920
SMILES O=C(c1ccc(cc1)C(C)(C)C)Oc1ccc2c(c1)oc(=O)c(c2)c1nc2c(s1)cccc2

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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 C27H21NO4S MW 455.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21NO4S/c1-27(2,3)18-11-8-16(9-12-18)25(29)31-19-13-10-17-14-20(26(30)32-22(17)15-19)24-28-21-6-4-5-7-23(21)33-24/h4-15H,1-3H3
InChIKey
PNOAQXHFUINAJQ-UHFFFAOYSA-N
Synonyms

(3(13BENZOTHIAZOL2YL)2OXOCHROMEN7YL)4TERTBUTYLBENZOATE
3(13benzothiazol2yl)2oxo2Hchromen7yl4tertbutylbenzoate
3BENZOTHIAZOL2YL2OXOCHROMEN7YL4(TERTBUTYL)BENZOATE
CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C4=NC5=CC=CC=C5S4
InChI=1SC27H21NO4Sc127(23)1811816(91218)25(29)31191310171420(26(30)3222(17)1519)242821645723(21)3324h415H13H3
MFCD04198021
ZINC000002439944
ZINC02439944
ZINC2439944

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Available files

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