Vitas-M small molecule compound
9-(2-butoxy-5-chlorophenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK220214
SMILES CCCCOc1ccc(cc1C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2)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 C23H25ClO4 MW 400.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25ClO4/c1-2-3-12-27-18-11-10-14(24)13-15(18)21-22-16(25)6-4-8-19(22)28-20-9-5-7-17(26)23(20)21/h10-11,13,21H,2-9,12H2,1H3InChIKey
DPELSCQHLTYAHP-UHFFFAOYSA-NSynonyms
9(2butoxy5chlorophenyl)345679hexahydro1Hxanthene18(2H)dione
9(2butoxy5chlorophenyl)345679hexahydro2Hxanthene18dione
CCCCOC1=C(C=C(C=C1)Cl)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4
InChI=1SC23H25ClO4c123122718111014(24)1315(18)212216(25)64819(22)282095717(26)23(20)21h10111321H2912H21H3
MFCD08676801
ZINC000004815351
ZINC04815351
ZINC4815351
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