Vitas-M small molecule compound
5-({[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazole
Catalog ID
STL415611
SMILES COc1ccc(c(c1)c1noc(n1)CSc1nnc(n1c1cccc(c1)C)Cc1ccccc1)OC
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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 C27H25N5O3S MW 499.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O3S/c1-18-8-7-11-20(14-18)32-24(15-19-9-5-4-6-10-19)29-30-27(32)36-17-25-28-26(31-35-25)22-16-21(33-2)12-13-23(22)34-3/h4-14,16H,15,17H2,1-3H3InChIKey
HLLBXUNRJKGUJJ-UHFFFAOYSA-NSynonyms
5(((5benzyl4(3methylphenyl)4H124triazol3yl)sulfanyl)methyl)3(25dimethoxyphenyl)124oxadiazole
5((5benzyl4(3methylphenyl)124triazol3yl)sulfanylmethyl)3(25dimethoxyphenyl)124oxadiazole
CC1=CC(=CC=C1)N2C(=NN=C2SCC3=NC(=NO3)C4=C(C=CC(=C4)OC)OC)CC5=CC=CC=C5
InChI=1SC27H25N5O3Sc118871120(1418)3224(151995461019)293027(32)3617252826(313525)221621(332)121323(22)343h41416H1517H213H3
MFCD14812462
ZINC000008612733
ZINC8612733
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