Vitas-M small molecule compound
3-[({[4-methyl-5-(1-{[(4-methylphenyl)carbonyl]amino}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STK139884
SMILES O=C(Nc1cccc(c1)C(=O)O)CSc1nnc(n1C)C(NC(=O)c1ccc(cc1)C)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 C22H23N5O4S MW 453.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O4S/c1-13-7-9-15(10-8-13)20(29)23-14(2)19-25-26-22(27(19)3)32-12-18(28)24-17-6-4-5-16(11-17)21(30)31/h4-11,14H,12H2,1-3H3,(H,23,29)(H,24,28)(H,30,31)InChIKey
WNYIXTDTSOWYME-UHFFFAOYSA-NSynonyms
3((((4METHYL5((1R)1((4METHYLBENZOYL)AMINO)ETHYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
3((((4METHYL5((1S)1((4METHYLBENZOYL)AMINO)ETHYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
3((((4METHYL5(1(((4METHYLPHENYL)CARBONYL)AMINO)ETHYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
3((2((4METHYL5(1((4METHYLBENZOYL)AMINO)ETHYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
CC1=CC=C(C=C1)C(=O)NC(C)C2=NN=C(N2C)SCC(=O)NC3=CC=CC(=C3)C(=O)O
InChI=1SC22H23N5O4Sc1137915(10813)20(29)2314(2)19252622(27(19)3)321218(28)241764516(1117)21(30)31h41114H12H213H3(H2329)(H2428)(H3031)
MFCD03997265
ZINC000002837948
ZINC000002837949
Check stock
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Check stock on Vitas-MAvailable files
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