Vitas-M small molecule compound

4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl naphthalene-2-carboxylate

Catalog ID
STK744603
SMILES Cc1ccc(c(c1)/C=C/1\Sc2c(C1=O)cccc2)OC(=O)c1ccc2c(c1)cccc2

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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 C27H18O3S MW 422.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18O3S/c1-17-10-13-23(30-27(29)20-12-11-18-6-2-3-7-19(18)15-20)21(14-17)16-25-26(28)22-8-4-5-9-24(22)31-25/h2-16H,1H3/b25-16-
InChIKey
UTSZJEVFQRDXOV-XYGWBWBKSA-N
Synonyms
471851-85-1
(4METHYL2((Z)(3OXO1BENZOTHIOPHEN2YLIDENE)METHYL)PHENYL)NAPHTHALENE2CARBOXYLATE
(Z)4methyl2((3oxobenzo(b)thiophen2(3H)ylidene)methyl)phenyl2naphthoate
471851851
4methyl2((Z)(3oxo1benzothiophen2(3H)ylidene)methyl)phenylnaphthalene2carboxylate
CC1=CC(=C(C=C1)OC(=O)C2=CC3=CC=CC=C3C=C2)C=C4C(=O)C5=CC=CC=C5S4
Cc1ccc(c(c1)C=C1Sc2c(C1=O)cccc2)OC(=O)c1ccc2c(c1)cccc2
InChI=1SC27H18O3Sc117101323(3027(29)20121118623719(18)1520)21(1417)162526(28)22845924(22)3125h216H1H3b2516
MFCD03250606
ZINC000013617956
ZINC13617956

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Available files

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