Vitas-M small molecule compound
methyl 4-chloro-3-({[(4-methyl-5-{2-[(4-methylphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STK230562
SMILES COC(=O)c1ccc(c(c1)NC(=O)CSc1nnc(n1C)CC(=O)Nc1ccc(cc1)C)Cl
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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/c1-13-4-7-15(8-5-13)24-19(29)11-18-26-27-22(28(18)2)33-12-20(30)25-17-10-14(21(31)32-3)6-9-16(17)23/h4-10H,11-12H2,1-3H3,(H,24,29)(H,25,30)InChIKey
ICZXPXOMBTZERJ-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)NC(=O)CC2=NN=C(N2C)SCC(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl
InChI=1SC22H22ClN5O4Sc1134715(8513)2419(29)1118262722(28(18)2)331220(30)25171014(21(31)323)6916(17)23h410H1112H213H3(H2429)(H2530)
METHYL4CHLORO3((((4METHYL5(2((4METHYLPHENYL)AMINO)2OXOETHYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4CHLORO3((2((4METHYL5(2(4METHYLANILINO)2OXOETHYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD06000607
ZINC000002868648
ZINC02868648
ZINC2868648
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