Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-[(5-{3-[(2-chlorophenyl)amino]-3-oxopropyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamide
Catalog ID
STK278797
SMILES O=C(Nc1ccccc1Cl)CCc1nnc(n1C)SC(C(=O)Nc1ccc2c(c1)OCO2)C
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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 C22H22ClN5O4S MW 487.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN5O4S/c1-13(21(30)24-14-7-8-17-18(11-14)32-12-31-17)33-22-27-26-19(28(22)2)9-10-20(29)25-16-6-4-3-5-15(16)23/h3-8,11,13H,9-10,12H2,1-2H3,(H,24,30)(H,25,29)InChIKey
ULYPZNVMMUVOKV-UHFFFAOYSA-NSynonyms
CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NN=C(N3C)CCC(=O)NC4=CC=CC=C4Cl
InChI=1SC22H22ClN5O4Sc113(21(30)2414781718(1114)32123117)3322272619(28(22)2)91020(29)2516643515(16)23h381113H91012H212H3(H2430)(H2529)
MFCD09269569
N(13benzodioxol5yl)2((5(3((2chlorophenyl)amino)3oxopropyl)4methyl4H124triazol3yl)sulfanyl)propanamide
N(13benzodioxol5yl)2((5(3(2chloroanilino)3oxopropyl)4methyl124triazol3yl)sulfanyl)propanamide
NBENZO(13)DIOXOL5YL2(5(2(2CHLOROPHENYLCARBAMOYL)ETHYL)4METHYL4H(124)TRIAZOL3YLSULFANYL)PROPIONAMIDE
ZINC000009095951
ZINC000013941837
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