Vitas-M small molecule compound
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL339677
SMILES O=C(Nc1ccc2c(c1)OCCO2)CSc1nnc(n1Cc1ccco1)c1ccncc1
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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 C22H19N5O4S MW 449.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O4S/c28-20(24-16-3-4-18-19(12-16)31-11-10-30-18)14-32-22-26-25-21(15-5-7-23-8-6-15)27(22)13-17-2-1-9-29-17/h1-9,12H,10-11,13-14H2,(H,24,28)InChIKey
LKCNWZVQJLSNCM-UHFFFAOYSA-NSynonyms
678545-65-8678545658
C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(N3CC4=CC=CO4)C5=CC=NC=C5
InChI=1SC22H19N5O4Sc2820(2416341819(1216)3111103018)143222262521(1557238615)27(22)13172192917h1912H10111314H2(H2428)
MFCD04013081
N(23dihydro14benzodioxin6yl)2((4(furan2ylmethyl)5(pyridin4yl)4H124triazol3yl)sulfanyl)acetamide
N(23DIHYDRO14BENZODIOXIN6YL)2((4(FURAN2YLMETHYL)5PYRIDIN4YL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(23dihydrobenzo(b)(14)dioxin6yl)2((4(furan2ylmethyl)5(pyridin4yl)4H124triazol3yl)thio)acetamide
N(2H3HBENZO(34E)14DIOXIN6YL)2(4(2FURYLMETHYL)5(4PYRIDYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000002415048
ZINC02415048
ZINC2415048
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