Vitas-M small molecule compound

methyl 2-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}-5-thiocyanatobenzoate

Catalog ID
STK013576
SMILES N#CSc1ccc(c(c1)C(=O)OC)NC(=O)CN1C(=O)c2c(C1=O)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 C19H13N3O5S MW 395.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13N3O5S/c1-27-19(26)14-8-11(28-10-20)6-7-15(14)21-16(23)9-22-17(24)12-4-2-3-5-13(12)18(22)25/h2-8H,9H2,1H3,(H,21,23)
InChIKey
ZWFFESQARFTAAC-UHFFFAOYSA-N
Synonyms
371210-20-7
371210207
COC(=O)C1=C(C=CC(=C1)SC#N)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O
InChI=1SC19H13N3O5Sc12719(26)14811(281020)6715(14)2116(23)92217(24)12423513(12)18(22)25h28H9H21H3(H2123)
METHYL2(((13DIOXO13DIHYDRO2HISOINDOL2YL)ACETYL)AMINO)5THIOCYANATOBENZOATE
METHYL2((2(13DIOXOISOINDOL2YL)ACETYL)AMINO)5THIOCYANATOBENZOATE
METHYL2(2(13DIOXOBENZO(C)AZOLIN2YL)ACETYLAMINO)5CYANOTHIOBENZOATE
methyl2(2(13dioxoisoindolin2yl)acetamido)5thiocyanatobenzoate
MFCD03009844
N#CSc1ccc(c(c1)C(=O)OC)NC(=O)CN1C(=O)c2c(C1=O)cccc2
STK013576
ZINC000004551724
ZINC04551724
ZINC4551724

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Available files

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