Vitas-M small molecule compound

3-(4-chlorophenyl)-6-hexyl-4-oxo-4H-chromen-7-yl 2,2-dimethylpropanoate

Catalog ID
STL331130
SMILES CCCCCCc1cc2c(cc1OC(=O)C(C)(C)C)occ(c2=O)c1ccc(cc1)Cl

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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 C26H29ClO4 MW 440.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29ClO4/c1-5-6-7-8-9-18-14-20-23(15-22(18)31-25(29)26(2,3)4)30-16-21(24(20)28)17-10-12-19(27)13-11-17/h10-16H,5-9H2,1-4H3
InChIKey
CAPBFWMCFTURFH-UHFFFAOYSA-N
Synonyms
370846-51-8
(3(4CHLOROPHENYL)6HEXYL4OXOCHROMEN7YL)22DIMETHYLPROPANOATE
3(4chlorophenyl)6hexyl4oxo4Hchromen7yl22dimethylpropanoate
3(4chlorophenyl)6hexyl4oxo4Hchromen7ylpivalate
3(4CHLOROPHENYL)6HEXYL4OXOCHROMEN7YL22DIMETHYLPROPANOATE
370846518
CCCCCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)Cl)OC(=O)C(C)(C)C
InChI=1SC26H29ClO4c15678918142023(1522(18)3125(29)26(23)4)301621(24(20)28)17101219(27)131117h1016H59H214H3
MFCD02359595
ZINC000001771668
ZINC01771668
ZINC1771668

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Available files

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