Vitas-M small molecule compound
methyl 2-[({[4-(2-methylpropyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK251632
SMILES COC(=O)c1ccccc1NC(=O)CSc1nnc(n1CC(C)C)c1ccncc1
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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 C21H23N5O3S MW 425.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O3S/c1-14(2)12-26-19(15-8-10-22-11-9-15)24-25-21(26)30-13-18(27)23-17-7-5-4-6-16(17)20(28)29-3/h4-11,14H,12-13H2,1-3H3,(H,23,27)InChIKey
MWVOQGIRHFEOJQ-UHFFFAOYSA-NSynonyms
2(2(4ISOBUTYL5PYRIDIN4YL4H(124)TRIAZOL3YLSULFANYL)ACETYLAMINO)BENZOICACIDMETHYLESTER
CC(C)CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)OC)C3=CC=NC=C3
InChI=1SC21H23N5O3Sc114(2)122619(158102211915)242521(26)301318(27)2317754616(17)20(28)293h41114H1213H213H3(H2327)
methyl2((((4(2methylpropyl)5(pyridin4yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
methyl2((2((4(2methylpropyl)5pyridin4yl124triazol3yl)sulfanyl)acetyl)amino)benzoate
MFCD08685525
ZINC000009304453
ZINC09304453
ZINC9304453
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