Vitas-M small molecule compound
N-tert-butyl-2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL406012
SMILES O=C(NC(C)(C)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 C20H26N4O3S MW 402.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O3S/c1-20(2,3)21-17(25)12-28-19-23-22-18(24(19)14-6-7-14)13-5-8-15-16(11-13)27-10-4-9-26-15/h5,8,11,14H,4,6-7,9-10,12H2,1-3H3,(H,21,25)InChIKey
HHQZGDPCCBKUST-UHFFFAOYSA-NSynonyms
CC(C)(C)NC(=O)CSC1=NN=C(N1C2CC2)C3=CC4=C(C=C3)OCCCO4
InChI=1SC20H26N4O3Sc120(23)2117(25)122819232218(24(19)146714)13581516(1113)2710492615h581114H46791012H213H3(H2125)
MFCD27221071
Ntertbutyl2((4cyclopropyl5(34dihydro2H15benzodioxepin7yl)124triazol3yl)sulfanyl)acetamide
Ntertbutyl2((4cyclopropyl5(34dihydro2H15benzodioxepin7yl)4H124triazol3yl)sulfanyl)acetamide
ZINC000064987159
ZINC64987159
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