Vitas-M small molecule compound

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

Catalog ID
STL406192
SMILES O=C(Nc1ccc(c(c1)Cl)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 C23H25ClN4O3S MW 473.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25ClN4O3S/c1-14(2)28-22(16-6-8-19-20(11-16)31-10-4-9-30-19)26-27-23(28)32-13-21(29)25-17-7-5-15(3)18(24)12-17/h5-8,11-12,14H,4,9-10,13H2,1-3H3,(H,25,29)
InChIKey
AGVRURNCLOXCFY-UHFFFAOYSA-N
Synonyms

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C(C)C)C3=CC4=C(C=C3)OCCCO4)Cl
InChI=1SC23H25ClN4O3Sc114(2)2822(16681920(1116)3110493019)262723(28)321321(29)25177515(3)18(24)1217h58111214H491013H213H3(H2529)
MFCD27221263
N(3chloro4methylphenyl)2((5(34dihydro2H15benzodioxepin7yl)4(propan2yl)4H124triazol3yl)sulfanyl)acetamide
N(3chloro4methylphenyl)2((5(34dihydro2H15benzodioxepin7yl)4propan2yl124triazol3yl)sulfanyl)acetamide
ZINC000064987274
ZINC64987274

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Available files

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