Vitas-M small molecule compound
2-{[5-(1,3-benzodioxol-5-yl)-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-cyclohexylacetamide
Catalog ID
STK474041
SMILES O=C(NC1CCCCC1)CSc1nnc(n1CC1CCCO1)c1ccc2c(c1)OCO2
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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 C22H28N4O4S MW 444.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O4S/c27-20(23-16-5-2-1-3-6-16)13-31-22-25-24-21(26(22)12-17-7-4-10-28-17)15-8-9-18-19(11-15)30-14-29-18/h8-9,11,16-17H,1-7,10,12-14H2,(H,23,27)InChIKey
OKZANNDOWOJIKP-UHFFFAOYSA-NSynonyms
2((5(13benzodioxol5yl)4(oxolan2ylmethyl)124triazol3yl)sulfanyl)Ncyclohexylacetamide
2((5(13benzodioxol5yl)4(tetrahydrofuran2ylmethyl)4H124triazol3yl)sulfanyl)Ncyclohexylacetamide
2(5(2HBENZO(34D)13DIOXOLEN5YL)4(OXOLAN2YLMETHYL)(124TRIAZOL3YLTHIO))NCYCLOHEXYLACETAMIDE
C1CCC(CC1)NC(=O)CSC2=NN=C(N2CC3CCCO3)C4=CC5=C(C=C4)OCO5
InChI=1SC22H28N4O4Sc2720(23165213616)133122252421(26(22)121774102817)15891819(1115)30142918h89111617H17101214H2(H2327)
MFCD07612680
ZINC000019641421
ZINC000019641426
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