Vitas-M small molecule compound
propan-2-yl 3-[({[5-{[(furan-2-ylcarbonyl)amino]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK139267
SMILES C=CCn1c(SCC(=O)Nc2cccc(c2)C(=O)OC(C)C)nnc1CNC(=O)c1ccco1
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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 C23H25N5O5S MW 483.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5O5S/c1-4-10-28-19(13-24-21(30)18-9-6-11-32-18)26-27-23(28)34-14-20(29)25-17-8-5-7-16(12-17)22(31)33-15(2)3/h4-9,11-12,15H,1,10,13-14H2,2-3H3,(H,24,30)(H,25,29)InChIKey
AAGHKSQPQOCVDK-UHFFFAOYSA-NSynonyms
3(2(4ALLYL5(((FURAN2CARBONYL)AMINO)METHYL)4H(124)TRIAZOL3YLSULFANYL)ACETYLAMINO)BENZOICACIDISOPROPYLESTER
CC(C)OC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=CO3
InChI=1SC23H25N5O5Sc14102819(132421(30)1896113218)262723(28)341420(29)251785716(1217)22(31)3315(2)3h49111215H1101314H223H3(H2430)(H2529)
MFCD04388889
PROPAN2YL3((((5(((FURAN2YLCARBONYL)AMINO)METHYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
PROPAN2YL3((2((5((FURAN2CARBONYLAMINO)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ZINC000009261385
ZINC09261385
ZINC9261385
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