Vitas-M small molecule compound
3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4,5-trimethoxybenzoate
Catalog ID
STK554756
SMILES CCc1cc2c(cc1OC(=O)c1cc(OC)c(c(c1)OC)OC)occ(c2=O)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 C28H23NO7S MW 517.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23NO7S/c1-5-15-10-17-21(35-14-18(25(17)30)27-29-19-8-6-7-9-24(19)37-27)13-20(15)36-28(31)16-11-22(32-2)26(34-4)23(12-16)33-3/h6-14H,5H2,1-4H3InChIKey
QNEDSPLPOPXFEU-UHFFFAOYSA-NSynonyms
618389-31-4(3(13BENZOTHIAZOL2YL)6ETHYL4OXOCHROMEN7YL)345TRIMETHOXYBENZOATE
3(13benzothiazol2yl)6ethyl4oxo4Hchromen7yl345trimethoxybenzoate
3(benzo(d)thiazol2yl)6ethyl4oxo4Hchromen7yl345trimethoxybenzoate
3BENZOTHIAZOL2YL6ETHYL4OXOCHROMEN7YL345TRIMETHOXYBENZOATE
618389314
CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)OC(=O)C5=CC(=C(C(=C5)OC)OC)OC
InChI=1SC28H23NO7Sc1515101721(351418(25(17)30)272919867924(19)3727)1320(15)3628(31)161122(322)26(344)23(1216)333h614H5H214H3
MFCD03861353
ZINC000002263440
ZINC02263440
ZINC2263440
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