Vitas-M small molecule compound
N-(3-chloro-4-methylphenyl)-2-({5-[(2,6-dimethylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Catalog ID
STK138696
SMILES C=CCn1c(SCC(=O)Nc2ccc(c(c2)Cl)C)nnc1COc1c(C)cccc1C
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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 C23H25ClN4O2S MW 457.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25ClN4O2S/c1-5-11-28-20(13-30-22-16(3)7-6-8-17(22)4)26-27-23(28)31-14-21(29)25-18-10-9-15(2)19(24)12-18/h5-10,12H,1,11,13-14H2,2-4H3,(H,25,29)InChIKey
YCFRYFXLSFASBB-UHFFFAOYSA-NSynonyms
CC1=C(C(=CC=C1)C)OCC2=NN=C(N2CC=C)SCC(=O)NC3=CC(=C(C=C3)C)Cl
InChI=1SC23H25ClN4O2Sc15112820(13302216(3)76817(22)4)262723(28)311421(29)251810915(2)19(24)1218h51012H1111314H224H3(H2529)
MFCD04333805
N(3CHLORO4METHYLPHENYL)2((5((26DIMETHYLPHENOXY)METHYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(3CHLORO4METHYLPHENYL)2((5((26DIMETHYLPHENOXY)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000001112408
ZINC01112408
ZINC1112408
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