Vitas-M small molecule compound
propan-2-yl 4-[({[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK766844
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)OC(C)C)nnc1c1cccnc1
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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 C22H23N5O3S MW 437.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O3S/c1-4-12-27-20(17-6-5-11-23-13-17)25-26-22(27)31-14-19(28)24-18-9-7-16(8-10-18)21(29)30-15(2)3/h4-11,13,15H,1,12,14H2,2-3H3,(H,24,28)InChIKey
IYQXZMVJVZERLQ-UHFFFAOYSA-NSynonyms
CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CN=CC=C3
InChI=1SC22H23N5O3Sc14122720(176511231317)252622(27)311419(28)24189716(81018)21(29)3015(2)3h4111315H11214H223H3(H2428)
METHYLETHYL4(2(4PROP2ENYL5(3PYRIDYL)124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
MFCD03036341
propan2yl4((((4(prop2en1yl)5(pyridin3yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
PROPAN2YL4((2((4PROP2ENYL5PYRIDIN3YL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ZINC000001089526
ZINC01089526
ZINC1089526
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