Vitas-M small molecule compound

methyl 4-(3-{[N-(1,3-benzodioxol-5-ylmethyl)-N'-phenylcarbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate

Catalog ID
STK757110
SMILES COC(=O)c1ccc(cc1)N1C(=O)CC(C1=O)S/C(=N/c1ccccc1)/NCc1ccc2c(c1)OCO2

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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 C27H23N3O6S MW 517.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O6S/c1-34-26(33)18-8-10-20(11-9-18)30-24(31)14-23(25(30)32)37-27(29-19-5-3-2-4-6-19)28-15-17-7-12-21-22(13-17)36-16-35-21/h2-13,23H,14-16H2,1H3,(H,28,29)
InChIKey
NVWLPXHCSVXIOW-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC(=NCC3=CC4=C(C=C3)OCO4)NC5=CC=CC=C5
COC(=O)c1ccc(cc1)N1C(=O)CC(C1=O)SC(=Nc1ccccc1)NCc1ccc2c(c1)OCO2
InChI=1SC27H23N3O6Sc13426(33)1881020(11918)3024(31)1423(25(30)32)3727(29195324619)2815177122122(1317)36163521h21323H1416H21H3(H2829)
methyl4(3((N(13benzodioxol5ylmethyl)Nphenylcarbamimidoyl)sulfanyl)25dioxopyrrolidin1yl)benzoate
METHYL4(3(N(13BENZODIOXOL5YLMETHYL)NPHENYLCARBAMIMIDOYL)SULFANYL25DIOXOPYRROLIDIN1YL)BENZOATE
MFCD01239974
ZINC000008407741
ZINC000100062814

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Available files

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