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}-N-(2-methoxyphenyl)acetamide
Catalog ID
STL406020
SMILES COc1ccccc1NC(=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 C21H22N4O4S MW 426.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4S/c1-25-20(14-8-9-17-18(12-14)29-11-5-10-28-17)23-24-21(25)30-13-19(26)22-15-6-3-4-7-16(15)27-2/h3-4,6-9,12H,5,10-11,13H2,1-2H3,(H,22,26)InChIKey
VCZWFQWOOGPUPR-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4methyl124triazol3yl)sulfanyl)N(2methoxyphenyl)acetamide
2((5(34dihydro2H15benzodioxepin7yl)4methyl4H124triazol3yl)sulfanyl)N(2methoxyphenyl)acetamide
CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2OC)C3=CC4=C(C=C3)OCCCO4
InChI=1SC21H22N4O4Sc12520(14891718(1214)29115102817)232421(25)301319(26)2215634716(15)272h346912H5101113H212H3(H2226)
MFCD15078935
ZINC000033087512
ZINC33087512
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