Vitas-M small molecule compound
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL406043
SMILES NC(=O)CSc1nnc(n1C)c1ccc2c(c1)OCCCO2
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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 C14H16N4O3S MW 320.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N4O3S/c1-18-13(16-17-14(18)22-8-12(15)19)9-3-4-10-11(7-9)21-6-2-5-20-10/h3-4,7H,2,5-6,8H2,1H3,(H2,15,19)InChIKey
PXRJFOAGFOCXIS-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4methyl124triazol3yl)sulfanyl)acetamide
2((5(34dihydro2H15benzodioxepin7yl)4methyl4H124triazol3yl)sulfanyl)acetamide
CN1C(=NN=C1SCC(=O)N)C2=CC3=C(C=C2)OCCCO3
InChI=1SC14H16N4O3Sc11813(161714(18)22812(15)19)9341011(79)216252010h347H2568H21H3(H21519)
MFCD27220640
ZINC000064986871
ZINC64986871
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