Vitas-M small molecule compound

butyl 2-chloro-5-{5-[(4H-1,2,4-triazol-4-ylimino)methyl]furan-2-yl}benzoate

Catalog ID
STK377173
SMILES CCCCOC(=O)c1cc(ccc1Cl)c1ccc(o1)/C=N\n1cnnc1

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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 C18H17ClN4O3 MW 372.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClN4O3/c1-2-3-8-25-18(24)15-9-13(4-6-16(15)19)17-7-5-14(26-17)10-22-23-11-20-21-12-23/h4-7,9-12H,2-3,8H2,1H3
InChIKey
GIAVHQMVBSARBR-UHFFFAOYSA-N
Synonyms

butyl2chloro5(5((4H124triazol4ylimino)methyl)furan2yl)benzoate
BUTYL2CHLORO5(5(124TRIAZOL4YLIMINOMETHYL)FURAN2YL)BENZOATE
CCCCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=NN3C=NN=C3)Cl
CCCCOC(=O)c1cc(ccc1Cl)c1ccc(o1)C=Nn1cnnc1
InChI=1SC18H17ClN4O3c12382518(24)15913(4616(15)19)177514(2617)1022231120211223h47912H238H21H3
MFCD07546015
ZINC000245227395

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Available files

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