Vitas-M small molecule compound
4,5,6-triethoxy-7-({[5-(3-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-benzofuran-1(3H)-one
Catalog ID
STK665839
SMILES CCOc1c(CSc2nnc(n2C)c2cccc(c2)OC)c2C(=O)OCc2c(c1OCC)OCC
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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 C25H29N3O6S MW 499.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O6S/c1-6-31-20-17-13-34-24(29)19(17)18(21(32-7-2)22(20)33-8-3)14-35-25-27-26-23(28(25)4)15-10-9-11-16(12-15)30-5/h9-12H,6-8,13-14H2,1-5H3InChIKey
RJCUFYHCXXZFLA-UHFFFAOYSA-NSynonyms
456triethoxy7(((5(3methoxyphenyl)4methyl4H124triazol3yl)sulfanyl)methyl)2benzofuran1(3H)one
456triethoxy7((5(3methoxyphenyl)4methyl124triazol3yl)sulfanylmethyl)3H2benzofuran1one
CCOC1=C(C(=C(C2=C1COC2=O)CSC3=NN=C(N3C)C4=CC(=CC=C4)OC)OCC)OCC
InChI=1SC25H29N3O6Sc16312017133424(29)19(17)18(21(3272)22(20)3383)143525272623(28(25)4)151091116(1215)305h912H681314H215H3
MFCD12034021
ZINC000015108847
ZINC15108847
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