Vitas-M small molecule compound
methyl 4-[({[5-(1-{[(4-methoxyphenyl)acetyl]amino}ethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK187073
SMILES COc1ccc(cc1)CC(=O)NC(c1nnc(n1C)SCC(=O)Nc1ccc(cc1)C(=O)OC)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 C24H27N5O5S MW 497.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N5O5S/c1-15(25-20(30)13-16-5-11-19(33-3)12-6-16)22-27-28-24(29(22)2)35-14-21(31)26-18-9-7-17(8-10-18)23(32)34-4/h5-12,15H,13-14H2,1-4H3,(H,25,30)(H,26,31)InChIKey
HSKYSCKBVBQMFX-UHFFFAOYSA-NSynonyms
CC(C1=NN=C(N1C)SCC(=O)NC2=CC=C(C=C2)C(=O)OC)NC(=O)CC3=CC=C(C=C3)OC
InChI=1SC24H27N5O5Sc115(2520(30)131651119(333)12616)22272824(29(22)2)351421(31)26189717(81018)23(32)344h51215H1314H214H3(H2530)(H2631)
METHYL4((((5(1(((4METHOXYPHENYL)ACETYL)AMINO)ETHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4((2((5(1((2(4METHOXYPHENYL)ACETYL)AMINO)ETHYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD06003240
ZINC000009304626
ZINC000009304628
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