Vitas-M small molecule compound
3-(2,5-dimethoxyphenyl)-5-({[4-(4-ethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole
Catalog ID
STL419479
SMILES COc1ccc(cc1c1noc(n1)CSc1nnc(n1c1ccc(cc1)CC)c1ccccc1)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/c1-4-18-10-12-20(13-11-18)32-26(19-8-6-5-7-9-19)29-30-27(32)36-17-24-28-25(31-35-24)22-16-21(33-2)14-15-23(22)34-3/h5-16H,4,17H2,1-3H3InChIKey
ABXZMEPUPUAYDE-UHFFFAOYSA-NSynonyms
3(25dimethoxyphenyl)5(((4(4ethylphenyl)5phenyl4H124triazol3yl)sulfanyl)methyl)124oxadiazole
3(25DIMETHOXYPHENYL)5((4(4ETHYLPHENYL)5PHENYL124TRIAZOL3YL)SULFANYLMETHYL)124OXADIAZOLE
CCC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=NO3)C4=C(C=CC(=C4)OC)OC)C5=CC=CC=C5
InChI=1SC27H25N5O3Sc1418101220(131118)3226(198657919)293027(32)3617242825(313524)221621(332)141523(22)343h516H417H213H3
MFCD14812449
ZINC000008612722
ZINC8612722
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