Vitas-M small molecule compound

N-(4-chlorobenzyl)-2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STL415840
SMILES O=C(NCc1ccc(cc1)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 C23H23ClN4O3S MW 470.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23ClN4O3S/c24-17-5-2-15(3-6-17)13-25-21(29)14-32-23-27-26-22(28(23)18-7-8-18)16-4-9-19-20(12-16)31-11-1-10-30-19/h2-6,9,12,18H,1,7-8,10-11,13-14H2,(H,25,29)
InChIKey
HVFZIIGEOJQIJS-UHFFFAOYSA-N
Synonyms

C1COC2=C(C=C(C=C2)C3=NN=C(N3C4CC4)SCC(=O)NCC5=CC=C(C=C5)Cl)OC1
InChI=1SC23H23ClN4O3Sc24175215(3617)132521(29)143223272622(28(23)187818)16491920(1216)31111103019h2691218H17810111314H2(H2529)
MFCD27221212
N((4chlorophenyl)methyl)2((4cyclopropyl5(34dihydro2H15benzodioxepin7yl)124triazol3yl)sulfanyl)acetamide
N(4chlorobenzyl)2((4cyclopropyl5(34dihydro2H15benzodioxepin7yl)4H124triazol3yl)sulfanyl)acetamide
ZINC000064987223
ZINC64987223

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Available files

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