Vitas-M small molecule compound
ethyl 4-[({[5-({[(2-chlorophenyl)carbonyl]amino}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK140054
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C)CNC(=O)c1ccccc1Cl
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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/c1-3-32-21(31)14-8-10-15(11-9-14)25-19(29)13-33-22-27-26-18(28(22)2)12-24-20(30)16-6-4-5-7-17(16)23/h4-11H,3,12-13H2,1-2H3,(H,24,30)(H,25,29)InChIKey
GZGPNMMZZVDNHV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=CC=C3Cl
ETHYL4((((5((((2CHLOROPHENYL)CARBONYL)AMINO)METHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ETHYL4((2((5(((2CHLOROBENZOYL)AMINO)METHYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
InChI=1SC22H22ClN5O4Sc133221(31)1481015(11914)2519(29)133322272618(28(22)2)122420(30)16645717(16)23h411H31213H212H3(H2430)(H2529)
MFCD04213026
ZINC000001111414
ZINC01111414
ZINC1111414
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