Vitas-M small molecule compound

3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-oxo-2H-chromen-7-yl acetate

Catalog ID
STL304646
SMILES CC(=O)Oc1ccc2c(c1)oc(=O)c(c2)c1scc(n1)c1ccc(cc1)[N+](=O)[O-]

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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 C20H12N2O6S MW 408.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12N2O6S/c1-11(23)27-15-7-4-13-8-16(20(24)28-18(13)9-15)19-21-17(10-29-19)12-2-5-14(6-3-12)22(25)26/h2-10H,1H3
InChIKey
WKRWRLSFVLKZOQ-UHFFFAOYSA-N
Synonyms
330181-45-8
(3(4(4NITROPHENYL)13THIAZOL2YL)2OXOCHROMEN7YL)ACETATE
3(4(4NITROPHENYL)13THIAZOL2YL)2OXO2HCHROMEN7YLACETATE
3(4(4nitrophenyl)thiazol2yl)2oxo2Hchromen7ylacetate
330181458
ACETICACID3(4(4NITROPHENYL)THIAZOL2YL)2OXO2HCHROMEN7YLESTER
CC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC(=CS3)C4=CC=C(C=C4)(N+)(=O)(O)
CC(=O)Oc1ccc2c(c1)oc(=O)c(c2)c1scc(n1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC20H12N2O6Sc111(23)27157413816(20(24)2818(13)915)192117(102919)122514(6312)22(25)26h210H1H3
MFCD01539546
ZINC000000846069
ZINC00846069
ZINC846069

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Available files

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