Vitas-M small molecule compound

methyl 2-{(3E)-3-[(2-methyl-2H-chromen-3-yl)methylidene]-2,5-dioxopyrrolidin-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK620909
SMILES COC(=O)c1c(sc2c1CCCC2)N1C(=O)C/C(=C\C2=Cc3ccccc3OC2C)/C1=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 C25H23NO5S MW 449.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23NO5S/c1-14-16(11-15-7-3-5-9-19(15)31-14)12-17-13-21(27)26(23(17)28)24-22(25(29)30-2)18-8-4-6-10-20(18)32-24/h3,5,7,9,11-12,14H,4,6,8,10,13H2,1-2H3/b17-12+
InChIKey
LQQUVXPQLFFCJT-SFQUDFHCSA-N
Synonyms
929815-99-6
(E)methyl2(3((2methyl2Hchromen3yl)methylene)25dioxopyrrolidin1yl)4567tetrahydrobenzo(b)thiophene3carboxylate
929815996
CC1C(=CC2=CC=CC=C2O1)C=C3CC(=O)N(C3=O)C4=C(C5=C(S4)CCCC5)C(=O)OC
COC(=O)c1c(sc2c1CCCC2)N1C(=O)CC(=CC2=Cc3ccccc3OC2C)C1=O
InChI=1SC25H23NO5Sc11416(1115735919(15)3114)12171321(27)26(23(17)28)2422(25(29)302)188461020(18)3224h3579111214H4681013H212H3b1712+
methyl2((3E)3((2methyl2Hchromen3yl)methylidene)25dioxopyrrolidin1yl)4567tetrahydro1benzothiophene3carboxylate
MFCD09793216
ZINC000008992443
ZINC000008992444

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Available files

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