Vitas-M small molecule compound
N-(3-chlorophenyl)-2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL415944
SMILES O=C(Nc1cccc(c1)Cl)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 C22H21ClN4O3S MW 456.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN4O3S/c23-15-3-1-4-16(12-15)24-20(28)13-31-22-26-25-21(27(22)17-6-7-17)14-5-8-18-19(11-14)30-10-2-9-29-18/h1,3-5,8,11-12,17H,2,6-7,9-10,13H2,(H,24,28)InChIKey
JPJHOPDINREVTC-UHFFFAOYSA-NSynonyms
C1COC2=C(C=C(C=C2)C3=NN=C(N3C4CC4)SCC(=O)NC5=CC(=CC=C5)Cl)OC1
InChI=1SC22H21ClN4O3Sc231531416(1215)2420(28)133122262521(27(22)176717)14581819(1114)3010292918h1358111217H26791013H2(H2428)
MFCD27221273
N(3chlorophenyl)2((4cyclopropyl5(34dihydro2H15benzodioxepin7yl)124triazol3yl)sulfanyl)acetamide
N(3chlorophenyl)2((4cyclopropyl5(34dihydro2H15benzodioxepin7yl)4H124triazol3yl)sulfanyl)acetamide
ZINC000064987285
ZINC64987285
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