Vitas-M small molecule compound
methyl 2-[({[5-({[(2-fluorophenyl)carbonyl]amino}methyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK133948
SMILES C=CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nnc1CNC(=O)c1ccccc1F
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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 C23H22FN5O4S MW 483.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22FN5O4S/c1-3-12-29-19(13-25-21(31)15-8-4-6-10-17(15)24)27-28-23(29)34-14-20(30)26-18-11-7-5-9-16(18)22(32)33-2/h3-11H,1,12-14H2,2H3,(H,25,31)(H,26,30)InChIKey
AJWKEJBCZOJCFX-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=CC=C3F
InChI=1SC23H22FN5O4Sc13122919(132521(31)158461017(15)24)272823(29)341420(30)26181175916(18)22(32)332h311H11214H22H3(H2531)(H2630)
METHYL2((((5((((2FLUOROPHENYL)CARBONYL)AMINO)METHYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL2((2((5(((2FLUOROBENZOYL)AMINO)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD04376530
ZINC000009261223
ZINC09261223
ZINC9261223
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