Vitas-M small molecule compound

3-(2-hydroxy-3-methoxyphenyl)-1-(1H-indol-3-ylmethyl)-4,6-dioxo-5-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

Catalog ID
STK679248
SMILES COc1cccc(c1O)C1NC(C2C1C(=O)N(C2=O)c1ccccc1)(Cc1c[nH]c2c1cccc2)C(=O)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 C29H25N3O6 MW 511.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O6/c1-38-21-13-7-11-19(25(21)33)24-22-23(27(35)32(26(22)34)17-8-3-2-4-9-17)29(31-24,28(36)37)14-16-15-30-20-12-6-5-10-18(16)20/h2-13,15,22-24,30-31,33H,14H2,1H3,(H,36,37)
InChIKey
NKDHDPSFJYFXGY-UHFFFAOYSA-N
Synonyms

1(2HYDROXY3METHOXYPHENYL)3(1HINDOL3YLMETHYL)46DIOXO5PHENYL123A6ATETRAHYDROPYRROLO(34C)PYRROLE3CARBOXYLICACID
3(2hydroxy3methoxyphenyl)1(1Hindol3ylmethyl)46dioxo5phenyloctahydropyrrolo(34c)pyrrole1carboxylicacid
COC1=CC=CC(=C1O)C2C3C(C(=O)N(C3=O)C4=CC=CC=C4)C(N2)(CC5=CNC6=CC=CC=C65)C(=O)O
COc1cccc(c1O)C1NC(C2C1C(=O)N(C2=O)c1ccccc1)(Cc1c(nH)c2c1cccc2)C(=O)O
InChI=1SC29H25N3O6c138211371119(25(21)33)242223(27(35)32(26(22)34)178324917)29(312428(36)37)141615302012651018(16)20h213152224303133H14H21H3(H3637)
MFCD03408919
ZINC000008867936
ZINC000247919040

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Available files

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