Vitas-M small molecule compound
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-(furan-2-ylmethyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL347628
SMILES O=C(Nc1ccc2c(c1)OCCO2)CSc1nnc(n1Cc1ccco1)c1cccnc1
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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(24-16-5-6-18-19(11-16)31-10-9-30-18)14-32-22-26-25-21(15-3-1-7-23-12-15)27(22)13-17-4-2-8-29-17/h1-8,11-12H,9-10,13-14H2,(H,24,28)InChIKey
FALFFAMSYMQCER-UHFFFAOYSA-NSynonyms
461013-35-4461013354
C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(N3CC4=CC=CO4)C5=CN=CC=C5
InChI=1SC22H19N5O4Sc2820(2416561819(1116)311093018)143222262521(15317231215)27(22)13174282917h181112H9101314H2(H2428)
MFCD03116722
N(23dihydro14benzodioxin6yl)2((4(furan2ylmethyl)5(pyridin3yl)4H124triazol3yl)sulfanyl)acetamide
N(23DIHYDRO14BENZODIOXIN6YL)2((4(FURAN2YLMETHYL)5PYRIDIN3YL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(23dihydrobenzo(b)(14)dioxin6yl)2((4(furan2ylmethyl)5(pyridin3yl)4H124triazol3yl)thio)acetamide
N(2H3HBENZO(34E)14DIOXIN6YL)2(4(2FURYLMETHYL)5(3PYRIDYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000000778468
ZINC00778468
ZINC778468
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