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-ethylphenyl)acetamide
Catalog ID
STL415945
SMILES CCc1ccc(cc1)NC(=O)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/c1-2-16-4-7-18(8-5-16)25-22(29)15-32-24-27-26-23(28(24)19-9-10-19)17-6-11-20-21(14-17)31-13-3-12-30-20/h4-8,11,14,19H,2-3,9-10,12-13,15H2,1H3,(H,25,29)InChIKey
RXDYISPVMRZBQT-UHFFFAOYSA-NSynonyms
2((4cyclopropyl5(34dihydro2H15benzodioxepin7yl)124triazol3yl)sulfanyl)N(4ethylphenyl)acetamide
2((4cyclopropyl5(34dihydro2H15benzodioxepin7yl)4H124triazol3yl)sulfanyl)N(4ethylphenyl)acetamide
CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)C4=CC5=C(C=C4)OCCCO5
InChI=1SC24H26N4O3Sc12164718(8516)2522(29)153224272623(28(24)1991019)176112021(1417)31133123020h48111419H23910121315H21H3(H2529)
MFCD27221278
ZINC000064987290
ZINC64987290
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