Vitas-M small molecule compound
propan-2-yl 3-({[(4-methyl-5-{2-[(2-methylphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STK231274
SMILES O=C(Nc1cccc(c1)C(=O)OC(C)C)CSc1nnc(n1C)CC(=O)Nc1ccccc1C
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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 C24H27N5O4S MW 481.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N5O4S/c1-15(2)33-23(32)17-9-7-10-18(12-17)25-22(31)14-34-24-28-27-20(29(24)4)13-21(30)26-19-11-6-5-8-16(19)3/h5-12,15H,13-14H2,1-4H3,(H,25,31)(H,26,30)InChIKey
CORBGDCVCAGLCU-UHFFFAOYSA-NSynonyms
CC1=CC=CC=C1NC(=O)CC2=NN=C(N2C)SCC(=O)NC3=CC=CC(=C3)C(=O)OC(C)C
InChI=1SC24H27N5O4Sc115(2)3323(32)17971018(1217)2522(31)143424282720(29(24)4)1321(30)26191165816(19)3h51215H1314H214H3(H2531)(H2630)
MFCD06627866
propan2yl3((((4methyl5(2((2methylphenyl)amino)2oxoethyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
PROPAN2YL3((2((4METHYL5(2(2METHYLANILINO)2OXOETHYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ZINC000002880213
ZINC02880213
ZINC2880213
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