Vitas-M small molecule compound

(3R,11E)-16-hydroxy-3-methyl-14-[(2-methylnaphthalen-1-yl)methoxy]-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione

Catalog ID
STL537296
SMILES O=C1CCC/C=C/c2cc(OCc3c(C)ccc4c3cccc4)cc(c2C(=O)O[C@@H](CCC1)C)O

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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 C30H32O5 MW 472.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32O5/c1-20-15-16-22-10-6-7-14-26(22)27(20)19-34-25-17-23-11-4-3-5-12-24(31)13-8-9-21(2)35-30(33)29(23)28(32)18-25/h4,6-7,10-11,14-18,21,32H,3,5,8-9,12-13,19H2,1-2H3/b11-4+/t21-/m1/s1
InChIKey
UINLHSBPGMDTHH-MSVNAZOTSA-N
Synonyms

(3R11E)16hydroxy3methyl14((2methylnaphthalen1yl)methoxy)3456910hexahydro1H2benzoxacyclotetradecine17(8H)dione
(4~(R)12~(E))18hydroxy4methyl16((2methylnaphthalen1yl)methoxy)3oxabicyclo(1240)octadeca1(14)121517tetraene28dione
(SE)16hydroxy3methyl14((2methylnaphthalen1yl)methoxy)3456910hexahydro1Hbenzo(c)(1)oxacyclotetradecine17(8H)dione
110210144
InChI=1SC30H32O5c12015162210671426(22)27(20)1934251723114351224(31)138921(2)3530(33)29(23)28(32)1825h467101114182132H3589121319H212H3b114+t21m1s1
MFCD05675637
O=C1CCCC=Cc2cc(OCc3c(C)ccc4c3cccc4)cc(c2C(=O)O(C@H)(CCC1)C)O
ZINC001082732891
ZINC15956097

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Available files

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