Vitas-M small molecule compound
2-{[5-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Catalog ID
STL365437
SMILES O=C(Nc1ccc2c(c1)OCCO2)CSc1nnc(n1c1ccc(cc1)C)c1cc2c(o1)cccc2
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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 C27H22N4O4S MW 498.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O4S/c1-17-6-9-20(10-7-17)31-26(24-14-18-4-2-3-5-21(18)35-24)29-30-27(31)36-16-25(32)28-19-8-11-22-23(15-19)34-13-12-33-22/h2-11,14-15H,12-13,16H2,1H3,(H,28,32)InChIKey
NVWKCQKNBXCIOT-UHFFFAOYSA-NSynonyms
2((5(1benzofuran2yl)4(4methylphenyl)124triazol3yl)sulfanyl)N(23dihydro14benzodioxin6yl)acetamide
2((5(1benzofuran2yl)4(4methylphenyl)4H124triazol3yl)sulfanyl)N(23dihydro14benzodioxin6yl)acetamide
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC4=C(C=C3)OCCO4)C5=CC6=CC=CC=C6O5
InChI=1SC27H22N4O4Sc1176920(10717)3126(241418423521(18)3524)293027(31)361625(32)28198112223(1519)3413123322h2111415H121316H21H3(H2832)
MFCD09476160
ZINC000015018943
ZINC15018943
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