Vitas-M small molecule compound
2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylbenzyl)acetamide
Catalog ID
STL415935
SMILES O=C(NCc1ccc(cc1)C)CSc1nnc(n1C1CC1)c1ccc2c(c1)OCCCO2
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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 C24H26N4O3S MW 450.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O3S/c1-16-3-5-17(6-4-16)14-25-22(29)15-32-24-27-26-23(28(24)19-8-9-19)18-7-10-20-21(13-18)31-12-2-11-30-20/h3-7,10,13,19H,2,8-9,11-12,14-15H2,1H3,(H,25,29)InChIKey
KNQFPCPOVQKUEV-UHFFFAOYSA-NSynonyms
2((4cyclopropyl5(34dihydro2H15benzodioxepin7yl)124triazol3yl)sulfanyl)N((4methylphenyl)methyl)acetamide
2((4cyclopropyl5(34dihydro2H15benzodioxepin7yl)4H124triazol3yl)sulfanyl)N(4methylbenzyl)acetamide
CC1=CC=C(C=C1)CNC(=O)CSC2=NN=C(N2C3CC3)C4=CC5=C(C=C4)OCCCO5
InChI=1SC24H26N4O3Sc1163517(6416)142522(29)153224272623(28(24)198919)187102021(1318)31122113020h37101319H28911121415H21H3(H2529)
MFCD27221282
ZINC000064987294
ZINC64987294
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