Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-{[5-(morpholin-4-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL380899
SMILES O=C(Nc1ccc2c(c1)OCO2)CSc1nnc(n1c1ccccc1)CN1CCOCC1
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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 C22H23N5O4S MW 453.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O4S/c28-21(23-16-6-7-18-19(12-16)31-15-30-18)14-32-22-25-24-20(13-26-8-10-29-11-9-26)27(22)17-4-2-1-3-5-17/h1-7,12H,8-11,13-15H2,(H,23,28)InChIKey
UEVJMCRCOMMZKN-UHFFFAOYSA-NSynonyms
C1COCCN1CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5
InChI=1SC22H23N5O4Sc2821(2316671819(1216)31153018)143222252420(13268102911926)27(22)174213517h1712H8111315H2(H2328)
MFCD06621136
N(13BENZODIOXOL5YL)2((5(MORPHOLIN4YLMETHYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(13benzodioxol5yl)2((5(morpholin4ylmethyl)4phenyl4H124triazol3yl)sulfanyl)acetamide
ZINC000019799438
ZINC19799438
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