Vitas-M small molecule compound
3-[(4-bromobenzyl)sulfanyl]-4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazole
Catalog ID
STL048848
SMILES COc1cccc(c1)c1nnc(n1Cc1ccco1)SCc1ccc(cc1)Br
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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 C21H18BrN3O2S MW 456.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrN3O2S/c1-26-18-5-2-4-16(12-18)20-23-24-21(25(20)13-19-6-3-11-27-19)28-14-15-7-9-17(22)10-8-15/h2-12H,13-14H2,1H3InChIKey
VPZWDUGDCGPWAC-UHFFFAOYSA-NSynonyms
861631-14-33((4bromobenzyl)sulfanyl)4(furan2ylmethyl)5(3methoxyphenyl)4H124triazole
3((4bromobenzyl)thio)4(furan2ylmethyl)5(3methoxyphenyl)4H124triazole
3((4BROMOPHENYL)METHYLSULFANYL)4(FURAN2YLMETHYL)5(3METHOXYPHENYL)124TRIAZOLE
861631143
COC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)Br
InChI=1SC21H18BrN3O2Sc1261852416(1218)20232421(25(20)131963112719)2814157917(22)10815h212H1314H21H3
MFCD05684937
ZINC000013804653
ZINC13804653
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