Vitas-M small molecule compound

6-[(4-chlorophenyl)carbonyl]-5-hydroxy-4-[4-(octyloxy)phenyl]-3,4-dihydro-2H-chromen-2-one

Catalog ID
STL547076
SMILES CCCCCCCCOc1ccc(cc1)C1CC(=O)Oc2c1c(O)c(cc2)C(=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 C30H31ClO5 MW 507.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31ClO5/c1-2-3-4-5-6-7-18-35-23-14-10-20(11-15-23)25-19-27(32)36-26-17-16-24(30(34)28(25)26)29(33)21-8-12-22(31)13-9-21/h8-17,25,34H,2-7,18-19H2,1H3
InChIKey
OBOSRLXSIHLKNW-UHFFFAOYSA-N
Synonyms

121541118
6((4chlorophenyl)carbonyl)5hydroxy4(4(octyloxy)phenyl)34dihydro2Hchromen2one
6(4CHLOROBENZOYL)5HYDROXY4(4(OCTYLOXY)PHENYL)CHROMAN2ONE
6(4chlorobenzoyl)5hydroxy4(4octoxyphenyl)34dihydrochromen2one
InChI=1SC30H31ClO5c1234567183523141020(111523)251927(32)3626171624(30(34)28(25)26)29(33)2181222(31)13921h8172534H271819H21H3
MFCD30344037
ZINC000263585940
ZINC000263585941

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Available files

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