Vitas-M small molecule compound
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide
Catalog ID
STL406180
SMILES O=C(Nc1cccc(c1C)C)CSc1nnc(n1C(C)C)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 C24H28N4O3S MW 452.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N4O3S/c1-15(2)28-23(18-9-10-20-21(13-18)31-12-6-11-30-20)26-27-24(28)32-14-22(29)25-19-8-5-7-16(3)17(19)4/h5,7-10,13,15H,6,11-12,14H2,1-4H3,(H,25,29)InChIKey
FGUJKLTZXCATSI-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4(propan2yl)4H124triazol3yl)sulfanyl)N(23dimethylphenyl)acetamide
2((5(34dihydro2H15benzodioxepin7yl)4propan2yl124triazol3yl)sulfanyl)N(23dimethylphenyl)acetamide
CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(N2C(C)C)C3=CC4=C(C=C3)OCCCO4)C
InChI=1SC24H28N4O3Sc115(2)2823(189102021(1318)31126113020)262724(28)321422(29)251985716(3)17(19)4h57101315H6111214H214H3(H2529)
MFCD15078969
ZINC000033087544
ZINC33087544
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