Vitas-M small molecule compound
4-(3-{[N-ethyl-N'-(3-fluorophenyl)carbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoic acid
Catalog ID
STK957366
SMILES CCN/C(=N\c1cccc(c1)F)/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 C20H18FN3O4S MW 415.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18FN3O4S/c1-2-22-20(23-14-5-3-4-13(21)10-14)29-16-11-17(25)24(18(16)26)15-8-6-12(7-9-15)19(27)28/h3-10,16H,2,11H2,1H3,(H,22,23)(H,27,28)InChIKey
HLZMIUUSXSJTPR-UHFFFAOYSA-NSynonyms
354997-78-7354997787
4(3((NethylN(3fluorophenyl)carbamimidoyl)sulfanyl)25dioxopyrrolidin1yl)benzoicacid
4(3(NethylN(3fluorophenyl)carbamimidoyl)sulfanyl25dioxopyrrolidin1yl)benzoicacid
CCN=C(NC1=CC(=CC=C1)F)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O
CCNC(=Nc1cccc(c1)F)SC1CC(=O)N(C1=O)c1ccc(cc1)C(=O)O
InChI=1SC20H18FN3O4Sc122220(231453413(21)1014)29161117(25)24(18(16)26)158612(7915)19(27)28h31016H211H21H3(H2223)(H2728)
MFCD01447849
ZINC000005471677
ZINC000027062790
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