Vitas-M small molecule compound
3,5,5-trimethyl-8-methylidene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl 4-chlorobenzoate
Catalog ID
STK054468
SMILES O=C(c1ccc(cc1)Cl)OC1CC(=C)C2C(=C(CC2)C)CC1(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 C21H25ClO2 MW 344.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25ClO2/c1-13-5-10-17-14(2)11-19(21(3,4)12-18(13)17)24-20(23)15-6-8-16(22)9-7-15/h6-9,17,19H,2,5,10-12H2,1,3-4H3InChIKey
LIEDCQPGOXPJSJ-UHFFFAOYSA-NSynonyms
(355trimethyl8methylidene124678ahexahydroazulen6yl)4chlorobenzoate
355trimethyl8methylidene12456788aoctahydroazulen6yl4chlorobenzoate
CC1=C2CC(C(CC(=C)C2CC1)OC(=O)C3=CC=C(C=C3)Cl)(C)C
InChI=1SC21H25ClO2c1135101714(2)1119(21(34)1218(13)17)2420(23)156816(22)9715h691719H251012H2134H3
MFCD01595327
O=C(c1ccc(cc1)Cl)OC1CC(=C)C2C(=C(CC2)C)CC1(C)C
STK054468
ZINC000005482550
ZINC000005482553
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Check stock on Vitas-MAvailable files
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