Vitas-M small molecule compound

ethyl 8-(1,3-benzothiazol-2-yl)-5-bromo-7-oxo-2-phenyl-7H-furo[3,2-f]chromene-1-carboxylate

Catalog ID
STK888119
SMILES CCOC(=O)c1c(oc2c1c1cc(c(=O)oc1c(c2)Br)c1nc2c(s1)cccc2)c1ccccc1

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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 C27H16BrNO5S MW 546.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H16BrNO5S/c1-2-32-27(31)22-21-15-12-16(25-29-18-10-6-7-11-20(18)35-25)26(30)34-24(15)17(28)13-19(21)33-23(22)14-8-4-3-5-9-14/h3-13H,2H2,1H3
InChIKey
WQLXWPPRLPXQNI-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(OC2=CC(=C3C(=C21)C=C(C(=O)O3)C4=NC5=CC=CC=C5S4)Br)C6=CC=CC=C6
ethyl8(13benzothiazol2yl)5bromo7oxo2phenyl7Hfuro(32f)chromene1carboxylate
ETHYL8(13BENZOTHIAZOL2YL)5BROMO7OXO2PHENYLFURO(32F)CHROMENE1CARBOXYLATE
InChI=1SC27H16BrNO5Sc123227(31)2221151216(25291810671120(18)3525)26(30)3424(15)17(28)1319(21)3323(22)148435914h313H2H21H3
MFCD03465178
ZINC000011867639
ZINC11867639

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Available files

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