Vitas-M small molecule compound
(3S,11E)-14,16-bis[(2-chloro-6-fluorobenzyl)oxy]-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
Catalog ID
STL464905
SMILES O=C1CCC/C=C/c2cc(OCc3c(F)cccc3Cl)cc(c2C(=O)O[C@H](CCC1)C)OCc1c(F)cccc1Cl
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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 C32H30Cl2F2O5 MW 603.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30Cl2F2O5/c1-20-8-5-11-22(37)10-4-2-3-9-21-16-23(39-18-24-26(33)12-6-14-28(24)35)17-30(31(21)32(38)41-20)40-19-25-27(34)13-7-15-29(25)36/h3,6-7,9,12-17,20H,2,4-5,8,10-11,18-19H2,1H3/b9-3+/t20-/m0/s1InChIKey
RNSINQOJPZZUEQ-UTJZZEGQSA-NSynonyms
(2E11S)1517bis((2chloro6fluorophenyl)methoxy)11methyl12oxabicyclo(1240)octadeca1(14)21517tetraene713dione
(3S11E)1416bis((2chloro6fluorobenzyl)oxy)3methyl3456910hexahydro1H2benzoxacyclotetradecine17(8H)dione
(SE)1416bis((2chloro6fluorobenzyl)oxy)3methyl3456910hexahydro1Hbenzo(c)(1)oxacyclotetradecine17(8H)dione
CC1CCCC(=O)CCCC=CC2=CC(=CC(=C2C(=O)O1)OCC3=C(C=CC=C3Cl)F)OCC4=C(C=CC=C4Cl)F
InChI=1SC32H30Cl2F2O5c120851122(37)104239211623(39182426(33)1261428(24)35)1730(31(21)32(38)4120)40192527(34)1371529(25)36h3679121720H245810111819H21H3b93+t20m0s1
MFCD02673813
O=C1CCCC=Cc2cc(OCc3c(F)cccc3Cl)cc(c2C(=O)O(C@H)(CCC1)C)OCc1c(F)cccc1Cl
ZINC000254702206
ZINC85907479
Check stock
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Check stock on Vitas-MAvailable files
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