Vitas-M small molecule compound

4-(furan-2-ylmethyl)-3-[(4-nitrobenzyl)sulfanyl]-5-(phenoxymethyl)-4H-1,2,4-triazole

Catalog ID
STL052124
SMILES [O-][N+](=O)c1ccc(cc1)CSc1nnc(n1Cc1ccco1)COc1ccccc1

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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 C21H18N4O4S MW 422.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4S/c26-25(27)17-10-8-16(9-11-17)15-30-21-23-22-20(14-29-18-5-2-1-3-6-18)24(21)13-19-7-4-12-28-19/h1-12H,13-15H2
InChIKey
WGUNHAUCJVSZNE-UHFFFAOYSA-N
Synonyms
710984-06-8
((4(2FURYLMETHYL)5((4NITROPHENYL)METHYLTHIO)124TRIAZOL3YL)METHOXY)BENZENE
(O)(N+)(=O)c1ccc(cc1)CSc1nnc(n1Cc1ccco1)COc1ccccc1
4(FURAN2YLMETHYL)3(((4NITROPHENYL)METHYL)SULFANYL)5(PHENOXYMETHYL)4H124TRIAZOLE
4(furan2ylmethyl)3((4nitrobenzyl)sulfanyl)5(phenoxymethyl)4H124triazole
4(furan2ylmethyl)3((4nitrobenzyl)thio)5(phenoxymethyl)4H124triazole
4(FURAN2YLMETHYL)3((4NITROPHENYL)METHYLSULFANYL)5(PHENOXYMETHYL)124TRIAZOLE
710984068
C1=CC=C(C=C1)OCC2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC21H18N4O4Sc2625(27)1710816(91117)153021232220(1429185213618)24(21)131974122819h112H1315H2
MFCD05996996
ZINC000001077001
ZINC01077001
ZINC1077001

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Available files

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