Vitas-M small molecule compound
ethyl 4-({[4-(1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5-methylfuran-2-carboxylate
Catalog ID
STK665946
SMILES CCOC(=O)c1cc(c(o1)C)CSc1nnc(n1c1ccc2c(c1)OCO2)c1cc(OC)c(c(c1)OC)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 C27H27N3O8S MW 553.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O8S/c1-6-35-26(31)23-11-17(15(2)38-23)13-39-27-29-28-25(16-9-21(32-3)24(34-5)22(10-16)33-4)30(27)18-7-8-19-20(12-18)37-14-36-19/h7-12H,6,13-14H2,1-5H3InChIKey
MXCSJRUPOWSRDU-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC(=C(O1)C)CSC2=NN=C(N2C3=CC4=C(C=C3)OCO4)C5=CC(=C(C(=C5)OC)OC)OC
ethyl4(((4(13benzodioxol5yl)5(345trimethoxyphenyl)4H124triazol3yl)sulfanyl)methyl)5methylfuran2carboxylate
ethyl4((4(13benzodioxol5yl)5(345trimethoxyphenyl)124triazol3yl)sulfanylmethyl)5methylfuran2carboxylate
InChI=1SC27H27N3O8Sc163526(31)231117(15(2)3823)133927292825(16921(323)24(345)22(1016)334)30(27)18781920(1218)37143619h712H61314H215H3
MFCD12972465
ZINC000060095595
ZINC60095595
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