Vitas-M small molecule compound
N-(3-methoxyphenyl)-2-{[4-methyl-5-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL406128
SMILES COc1cccc(c1)NC(=O)CSc1nnc(n1C)c1cc2OCCCOc2cc1C
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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/c1-14-10-18-19(30-9-5-8-29-18)12-17(14)21-24-25-22(26(21)2)31-13-20(27)23-15-6-4-7-16(11-15)28-3/h4,6-7,10-12H,5,8-9,13H2,1-3H3,(H,23,27)InChIKey
CFSOAXXQZSESFD-UHFFFAOYSA-NSynonyms
CC1=CC2=C(C=C1C3=NN=C(N3C)SCC(=O)NC4=CC(=CC=C4)OC)OCCCO2
InChI=1SC22H24N4O4Sc114101819(309582918)1217(14)21242522(26(21)2)311320(27)231564716(1115)283h4671012H58913H213H3(H2327)
MFCD27221036
N(3methoxyphenyl)2((4methyl5(8methyl34dihydro2H15benzodioxepin7yl)124triazol3yl)sulfanyl)acetamide
N(3methoxyphenyl)2((4methyl5(8methyl34dihydro2H15benzodioxepin7yl)4H124triazol3yl)sulfanyl)acetamide
ZINC000064987126
ZINC64987126
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