Vitas-M small molecule compound
4-[3-({N-[2-(4-methoxyphenyl)ethyl]-N'-phenylcarbamimidoyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoic acid
Catalog ID
STL328279
SMILES COc1ccc(cc1)CCN/C(=N\c1ccccc1)/SC1CC(=O)N(C1=O)c1ccc(cc1)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 C27H25N3O5S MW 503.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O5S/c1-35-22-13-7-18(8-14-22)15-16-28-27(29-20-5-3-2-4-6-20)36-23-17-24(31)30(25(23)32)21-11-9-19(10-12-21)26(33)34/h2-14,23H,15-17H2,1H3,(H,28,29)(H,33,34)InChIKey
VUBDMNLZYYIHAI-UHFFFAOYSA-NSynonyms
(E)4(3((N(4methoxyphenethyl)Nphenylcarbamimidoyl)thio)25dioxopyrrolidin1yl)benzoicacid
4(3((N(2(4methoxyphenyl)ethyl)Nphenylcarbamimidoyl)sulfanyl)25dioxopyrrolidin1yl)benzoicacid
4(3(N(2(4METHOXYPHENYL)ETHYL)NPHENYLCARBAMIMIDOYL)SULFANYL25DIOXOPYRROLIDIN1YL)BENZOICACID
COC1=CC=C(C=C1)CCN=C(NC2=CC=CC=C2)SC3CC(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O
COc1ccc(cc1)CCNC(=Nc1ccccc1)SC1CC(=O)N(C1=O)c1ccc(cc1)C(=O)O
InChI=1SC27H25N3O5Sc1352213718(81422)15162827(29205324620)36231724(31)30(25(23)32)2111919(101221)26(33)34h21423H1517H21H3(H2829)(H3334)
MFCD01625719
ZINC000009310674
ZINC000013777777
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