Vitas-M small molecule compound
3-benzyl-6-chloro-7-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-4-methyl-2H-chromen-2-one
Catalog ID
STL537446
SMILES O=C(N1CCC2(C(C1)CCCC2)O)COc1cc2oc(=O)c(c(c2cc1Cl)C)Cc1ccccc1
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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 C28H30ClNO5 MW 496.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30ClNO5/c1-18-21-14-23(29)25(15-24(21)35-27(32)22(18)13-19-7-3-2-4-8-19)34-17-26(31)30-12-11-28(33)10-6-5-9-20(28)16-30/h2-4,7-8,14-15,20,33H,5-6,9-13,16-17H2,1H3InChIKey
RSAHGQOQVREUDB-UHFFFAOYSA-NSynonyms
3631034
3benzyl6chloro7(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethoxy)4methyl2Hchromen2one
7(2(4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)2oxoethoxy)3benzyl6chloro4methylchromen2one
InChI=1SC28H30ClNO5c118211423(29)25(1524(21)3527(32)22(18)13197324819)341726(31)30121128(33)1065920(28)1630h247814152033H569131617H21H3
MFCD31754501
ZINC000002110043
ZINC000015954524
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