Vitas-M small molecule compound
methyl 2-[({[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STL360246
SMILES C=CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nnc1c1ccncc1
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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 C20H19N5O3S MW 409.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O3S/c1-3-12-25-18(14-8-10-21-11-9-14)23-24-20(25)29-13-17(26)22-16-7-5-4-6-15(16)19(27)28-2/h3-11H,1,12-13H2,2H3,(H,22,26)InChIKey
NLRYVEDYYFGMPU-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3
InChI=1SC20H19N5O3Sc13122518(148102111914)232420(25)291317(26)2216754615(16)19(27)282h311H11213H22H3(H2226)
methyl2((((4(prop2en1yl)5(pyridin4yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL2((2((4PROP2ENYL5PYRIDIN4YL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD07437430
ZINC000006728936
ZINC06728936
ZINC6728936
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