Vitas-M small molecule compound
methyl 5-({[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
Catalog ID
STL406127
SMILES COC(=O)c1ccc(o1)CSc1nnc(n1c1ccccc1)c1ccc2c(c1)OCCCO2
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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 C24H21N3O5S MW 463.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O5S/c1-29-23(28)20-11-9-18(32-20)15-33-24-26-25-22(27(24)17-6-3-2-4-7-17)16-8-10-19-21(14-16)31-13-5-12-30-19/h2-4,6-11,14H,5,12-13,15H2,1H3InChIKey
UHUAHSRZUJXFAB-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=C(O1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC5=C(C=C4)OCCCO5
InChI=1SC24H21N3O5Sc12923(28)2011918(3220)153324262522(27(24)176324717)168101921(1416)31135123019h2461114H5121315H21H3
methyl5(((5(34dihydro2H15benzodioxepin7yl)4phenyl4H124triazol3yl)sulfanyl)methyl)furan2carboxylate
methyl5((5(34dihydro2H15benzodioxepin7yl)4phenyl124triazol3yl)sulfanylmethyl)furan2carboxylate
MFCD15078991
ZINC000021723341
ZINC21723341
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