Vitas-M small molecule compound
2-{[5-(1-benzofuran-2-yl)-4-benzyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Catalog ID
STL405954
SMILES O=C(Nc1ccc2c(c1)OCCO2)CSc1nnc(n1Cc1ccccc1)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/c32-25(28-20-10-11-22-23(15-20)34-13-12-33-22)17-36-27-30-29-26(31(27)16-18-6-2-1-3-7-18)24-14-19-8-4-5-9-21(19)35-24/h1-11,14-15H,12-13,16-17H2,(H,28,32)InChIKey
IXTDSOJAZSYORJ-UHFFFAOYSA-NSynonyms
2((5(1benzofuran2yl)4benzyl124triazol3yl)sulfanyl)N(23dihydro14benzodioxin6yl)acetamide
2((5(1benzofuran2yl)4benzyl4H124triazol3yl)sulfanyl)N(23dihydro14benzodioxin6yl)acetamide
C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CC6=CC=CC=C6O5
InChI=1SC27H22N4O4Sc3225(282010112223(1520)3413123322)173627302926(31(27)16186213718)241419845921(19)3524h1111415H12131617H2(H2832)
MFCD27222545
ZINC000020193754
ZINC20193754
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