Vitas-M small molecule compound
N-(5-chloro-2-methylphenyl)-2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL406142
SMILES O=C(Nc1cc(Cl)ccc1C)CSc1nnc(n1C)Cc1ccc2c(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 C22H23ClN4O3S MW 458.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN4O3S/c1-14-4-6-16(23)12-17(14)24-21(28)13-31-22-26-25-20(27(22)2)11-15-5-7-18-19(10-15)30-9-3-8-29-18/h4-7,10,12H,3,8-9,11,13H2,1-2H3,(H,24,28)InChIKey
CUTFYERKAJDBSP-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2C)CC3=CC4=C(C=C3)OCCCO4
InChI=1SC22H23ClN4O3Sc1144616(23)1217(14)2421(28)133122262520(27(22)2)1115571819(1015)309382918h471012H3891113H212H3(H2428)
MFCD30704408
N(5chloro2methylphenyl)2((5(34dihydro2H15benzodioxepin7ylmethyl)4methyl124triazol3yl)sulfanyl)acetamide
N(5chloro2methylphenyl)2((5(34dihydro2H15benzodioxepin7ylmethyl)4methyl4H124triazol3yl)sulfanyl)acetamide
ZINC000101160914
ZINC101160914
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