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-(4-fluorophenyl)acetamide
Catalog ID
STK474050
SMILES O=C(Nc1ccc(cc1)F)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 C22H21FN4O4S MW 456.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21FN4O4S/c23-15-4-6-16(7-5-15)24-20(28)12-32-22-26-25-21(27(22)11-17-2-1-9-29-17)14-3-8-18-19(10-14)31-13-30-18/h3-8,10,17H,1-2,9,11-13H2,(H,24,28)InChIKey
MQPZYBFKWDDEQG-UHFFFAOYSA-NSynonyms
2((5(13benzodioxol5yl)4(oxolan2ylmethyl)124triazol3yl)sulfanyl)N(4fluorophenyl)acetamide
2((5(13benzodioxol5yl)4(tetrahydrofuran2ylmethyl)4H124triazol3yl)sulfanyl)N(4fluorophenyl)acetamide
2(5(2HBENZO(34D)13DIOXOLEN5YL)4(OXOLAN2YLMETHYL)(124TRIAZOL3YLTHIO))N(4FLUOROPHENYL)ACETAMIDE
C1CC(OC1)CN2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)F)C4=CC5=C(C=C4)OCO5
InChI=1SC22H21FN4O4Sc23154616(7515)2420(28)123222262521(27(22)11172192917)14381819(1014)31133018h381017H1291113H2(H2428)
MFCD07612689
ZINC000020478451
ZINC000020478455
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