Vitas-M small molecule compound
propan-2-yl 4-chloro-3-{[({5-[(2,6-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
Catalog ID
STK219162
SMILES O=C(Nc1cc(ccc1Cl)C(=O)OC(C)C)CSc1nnc(n1C)COc1c(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 C24H27ClN4O4S MW 503.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27ClN4O4S/c1-14(2)33-23(31)17-9-10-18(25)19(11-17)26-21(30)13-34-24-28-27-20(29(24)5)12-32-22-15(3)7-6-8-16(22)4/h6-11,14H,12-13H2,1-5H3,(H,26,30)InChIKey
HIZPQNFVQKIGDZ-UHFFFAOYSA-NSynonyms
CC1=C(C(=CC=C1)C)OCC2=NN=C(N2C)SCC(=O)NC3=C(C=CC(=C3)C(=O)OC(C)C)Cl
InChI=1SC24H27ClN4O4Sc114(2)3323(31)1791018(25)19(1117)2621(30)133424282720(29(24)5)12322215(3)76816(22)4h61114H1213H215H3(H2630)
MFCD06000465
PROPAN2YL4CHLORO3((((5((26DIMETHYLPHENOXY)METHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
PROPAN2YL4CHLORO3((2((5((26DIMETHYLPHENOXY)METHYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ZINC000001075160
ZINC01075160
ZINC1075160
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