Vitas-M small molecule compound
9-[3-chloro-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK198885
SMILES C#CCOc1c(Cl)cc(cc1OC)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2
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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 C23H21ClO5 MW 412.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClO5/c1-3-10-28-23-14(24)11-13(12-19(23)27-2)20-21-15(25)6-4-8-17(21)29-18-9-5-7-16(26)22(18)20/h1,11-12,20H,4-10H2,2H3InChIKey
WOAHILYHROYRIM-UHFFFAOYSA-NSynonyms
9(3chloro5methoxy4(prop2yn1yloxy)phenyl)345679hexahydro1Hxanthene18(2H)dione
9(3chloro5methoxy4prop2ynoxyphenyl)345679hexahydro2Hxanthene18dione
COC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)Cl)OCC#C
InChI=1SC23H21ClO5c1310282314(24)1113(1219(23)272)202115(25)64817(21)291895716(26)22(18)20h1111220H410H22H3
MFCD03707815
ZINC000002998864
ZINC02998864
ZINC2998864
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