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-[3-(trifluoromethyl)phenyl]acetamide
Catalog ID
STL406091
SMILES O=C(Nc1cccc(c1)C(F)(F)F)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 C23H21F3N4O3S MW 490.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21F3N4O3S/c24-23(25,26)15-3-1-4-16(12-15)27-20(31)13-34-22-29-28-21(30(22)17-6-7-17)14-5-8-18-19(11-14)33-10-2-9-32-18/h1,3-5,8,11-12,17H,2,6-7,9-10,13H2,(H,27,31)InChIKey
RTANRXZXRYNYFO-UHFFFAOYSA-NSynonyms
2((4cyclopropyl5(34dihydro2H15benzodioxepin7yl)124triazol3yl)sulfanyl)N(3(trifluoromethyl)phenyl)acetamide
2((4cyclopropyl5(34dihydro2H15benzodioxepin7yl)4H124triazol3yl)sulfanyl)N(3(trifluoromethyl)phenyl)acetamide
C1COC2=C(C=C(C=C2)C3=NN=C(N3C4CC4)SCC(=O)NC5=CC=CC(=C5)C(F)(F)F)OC1
InChI=1SC23H21F3N4O3Sc2423(2526)1531416(1215)2720(31)133422292821(30(22)176717)14581819(1114)3310293218h1358111217H26791013H2(H2731)
MFCD27221079
ZINC000064987165
ZINC64987165
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