Vitas-M small molecule compound
4-({[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Catalog ID
STK567517
SMILES COc1cccc(c1)c1nnc(n1Cc1ccco1)SCc1ccc(cc1)C#N
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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 C22H18N4O2S MW 402.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O2S/c1-27-19-5-2-4-18(12-19)21-24-25-22(26(21)14-20-6-3-11-28-20)29-15-17-9-7-16(13-23)8-10-17/h2-12H,14-15H2,1H3InChIKey
QWKVQVYOJYHALP-UHFFFAOYSA-NSynonyms
862128-17-44(((4(furan2ylmethyl)5(3methoxyphenyl)4H124triazol3yl)sulfanyl)methyl)benzonitrile
4(((4(furan2ylmethyl)5(3methoxyphenyl)4H124triazol3yl)thio)methyl)benzonitrile
4((4(FURAN2YLMETHYL)5(3METHOXYPHENYL)124TRIAZOL3YL)SULFANYLMETHYL)BENZONITRILE
862128174
COC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)C#N
InChI=1SC22H18N4O2Sc1271952418(1219)21242522(26(21)142063112820)2915179716(1323)81017h212H1415H21H3
MFCD05687518
ZINC000002449263
ZINC02449263
ZINC2449263
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