Vitas-M small molecule compound

(4E)-5-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione

Catalog ID
STL048812
SMILES C=CCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2ccccc2F)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)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 C34H30FN3O6S2 MW 659.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H30FN3O6S2/c1-4-14-43-26-13-10-20(17-27(26)42-5-2)29-28(30(39)21-11-12-25-23(16-21)15-19(3)44-25)31(40)32(41)38(29)33-36-37-34(46-33)45-18-22-8-6-7-9-24(22)35/h4,6-13,16-17,19,29,39H,1,5,14-15,18H2,2-3H3/b30-28+
InChIKey
LWZQMYQLJRPHKJ-SJCQXOIGSA-N
Synonyms
893697-10-4
(4E)5(3ethoxy4(prop2en1yloxy)phenyl)1(5((2fluorobenzyl)sulfanyl)134thiadiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
(4E)5(3ETHOXY4PROP2ENOXYPHENYL)1(5((2FLUOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
893697104
C=CCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2ccccc2F)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=CC=C6F)OCC=C
InChI=1SC34H30FN3O6S2c14144326131020(1727(26)4252)2928(30(39)2111122523(1621)1519(3)4425)31(40)32(41)38(29)33363734(4633)451822867924(22)35h46131617192939H15141518H223H3b3028+
MFCD05734969
ZINC000150457079
ZINC000150457093

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Available files

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