Vitas-M small molecule compound
2-{[5-(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Catalog ID
STL406130
SMILES COc1cc2OCCCOc2cc1c1nnc(n1C)SCC(=O)Nc1cccc(c1)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 C22H24N4O4S MW 440.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O4S/c1-14-6-4-7-15(10-14)23-20(27)13-31-22-25-24-21(26(22)2)16-11-18-19(12-17(16)28-3)30-9-5-8-29-18/h4,6-7,10-12H,5,8-9,13H2,1-3H3,(H,23,27)InChIKey
PQVWHUPAVJUXRZ-UHFFFAOYSA-NSynonyms
2((5(7methoxy34dihydro2H15benzodioxepin8yl)4methyl124triazol3yl)sulfanyl)N(3methylphenyl)acetamide
2((5(8methoxy34dihydro2H15benzodioxepin7yl)4methyl4H124triazol3yl)sulfanyl)N(3methylphenyl)acetamide
CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C)C3=CC4=C(C=C3OC)OCCCO4
InChI=1SC22H24N4O4Sc11464715(1014)2320(27)133122252421(26(22)2)16111819(1217(16)283)309582918h4671012H58913H213H3(H2327)
MFCD27220720
ZINC000064986924
ZINC64986924
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