Vitas-M small molecule compound
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL293859
SMILES C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1c1ccc(cc1)C
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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 C22H22N4O3S MW 422.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3S/c1-3-10-26-21(16-6-4-15(2)5-7-16)24-25-22(26)30-14-20(27)23-17-8-9-18-19(13-17)29-12-11-28-18/h3-9,13H,1,10-12,14H2,2H3,(H,23,27)InChIKey
CKXQDVQBUUSQCA-UHFFFAOYSA-NSynonyms
849031-47-62((4allyl5(ptolyl)4H124triazol3yl)thio)N(23dihydrobenzo(b)(14)dioxin6yl)acetamide
849031476
CC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC4=C(C=C3)OCCO4
InChI=1SC22H22N4O3Sc13102621(166415(2)5716)242522(26)301420(27)2317891819(1317)2912112818h3913H1101214H22H3(H2327)
MFCD05681948
N(23dihydro14benzodioxin6yl)2((5(4methylphenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetamide
N(23DIHYDRO14BENZODIOXIN6YL)2((5(4METHYLPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000002454329
ZINC02454329
ZINC2454329
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