Vitas-M small molecule compound

methyl 5-({[4-benzyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate

Catalog ID
STK863329
SMILES COC(=O)c1ccc(o1)CSc1nnc(n1Cc1ccccc1)c1ccncc1

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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 C21H18N4O3S MW 406.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O3S/c1-27-20(26)18-8-7-17(28-18)14-29-21-24-23-19(16-9-11-22-12-10-16)25(21)13-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3
InChIKey
YZPUBTHXXMXHCW-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=C(O1)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=NC=C4
InChI=1SC21H18N4O3Sc12720(26)188717(2818)142921242319(1691122121016)25(21)13155324615h212H1314H21H3
methyl5(((4benzyl5(pyridin4yl)4H124triazol3yl)sulfanyl)methyl)furan2carboxylate
methyl5(((4benzyl5(pyridin4yl)4H124triazol3yl)thio)methyl)furan2carboxylate
METHYL5((4BENZYL5PYRIDIN4YL124TRIAZOL3YL)SULFANYLMETHYL)FURAN2CARBOXYLATE
MFCD02985483
ZINC000001247353
ZINC01247353
ZINC1247353

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.