Vitas-M small molecule compound

2-[4-({[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione

Catalog ID
STK664042
SMILES O=C1N(c2ccc(cc2)C(=O)CSc2nnc(n2C)COc2ccccc2)C(=O)C2C1CCCC2

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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 C26H26N4O4S MW 490.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O4S/c1-29-23(15-34-19-7-3-2-4-8-19)27-28-26(29)35-16-22(31)17-11-13-18(14-12-17)30-24(32)20-9-5-6-10-21(20)25(30)33/h2-4,7-8,11-14,20-21H,5-6,9-10,15-16H2,1H3
InChIKey
RIGORQOSYOJSSX-UHFFFAOYSA-N
Synonyms

2(4(((4methyl5(phenoxymethyl)4H124triazol3yl)sulfanyl)acetyl)phenyl)hexahydro1Hisoindole13(2H)dione
2(4(2((4methyl5(phenoxymethyl)124triazol3yl)sulfanyl)acetyl)phenyl)3a45677ahexahydroisoindole13dione
CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)N3C(=O)C4CCCCC4C3=O)COC5=CC=CC=C5
InChI=1SC26H26N4O4Sc12923(1534197324819)272826(29)351622(31)17111318(141217)3024(32)209561021(20)25(30)33h247811142021H569101516H21H3
MFCD07658286
ZINC000012427819
ZINC000100217711

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Available files

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