Vitas-M small molecule compound
4-(chloromethyl)-2-(3-ethyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methyl-1,3-dioxolane
Catalog ID
STK048010
SMILES ClCC1COC(O1)(C)c1cc2c(cc1CC)C(C)(C)CCC2(C)C
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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 C21H31ClO2 MW 350.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31ClO2/c1-7-14-10-17-18(20(4,5)9-8-19(17,2)3)11-16(14)21(6)23-13-15(12-22)24-21/h10-11,15H,7-9,12-13H2,1-6H3InChIKey
IQPQJBYDIZUVFQ-UHFFFAOYSA-NSynonyms
4(chloromethyl)2(3ethyl5588tetramethyl5678tetrahydronaphthalen2yl)2methyl13dioxolane
4(chloromethyl)2(3ethyl5588tetramethyl67dihydronaphthalen2yl)2methyl13dioxolane
CCC1=C(C=C2C(=C1)C(CCC2(C)C)(C)C)C3(OCC(O3)CCl)C
ClCC1COC(O1)(C)c1cc2c(cc1CC)C(C)(C)CCC2(C)C
InChI=1SC21H31ClO2c1714101718(20(45)9819(172)3)1116(14)21(6)231315(1222)2421h101115H791213H216H3
MFCD01435252
STK048010
ZINC000005477210
ZINC000005477213
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