Vitas-M small molecule compound

4-[({[4-(4-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid

Catalog ID
STK573652
SMILES O=C(Nc1ccc(cc1)C(=O)O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccco1

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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 C21H15ClN4O4S MW 454.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15ClN4O4S/c22-14-5-9-16(10-6-14)26-19(17-2-1-11-30-17)24-25-21(26)31-12-18(27)23-15-7-3-13(4-8-15)20(28)29/h1-11H,12H2,(H,23,27)(H,28,29)
InChIKey
HDVVPBRGXAMNAZ-UHFFFAOYSA-N
Synonyms
896818-50-1
4((((4(4chlorophenyl)5(furan2yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
4((2((4(4CHLOROPHENYL)5(FURAN2YL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
4(2((4(4chlorophenyl)5(furan2yl)4H124triazol3yl)thio)acetamido)benzoicacid
896818501
C1=COC(=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NC4=CC=C(C=C4)C(=O)O
InChI=1SC21H15ClN4O4Sc22145916(10614)2619(1721113017)242521(26)311218(27)23157313(4815)20(28)29h111H12H2(H2327)(H2829)
MFCD06597296
ZINC000002208362
ZINC2208362

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Available files

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