Vitas-M small molecule compound
2-{[5-(1,3-benzodioxol-5-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide
Catalog ID
STK231043
SMILES C=CCn1c(SCC(=O)NCc2ccccc2)nnc1c1ccc2c(c1)OCO2
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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 C21H20N4O3S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3S/c1-2-10-25-20(16-8-9-17-18(11-16)28-14-27-17)23-24-21(25)29-13-19(26)22-12-15-6-4-3-5-7-15/h2-9,11H,1,10,12-14H2,(H,22,26)InChIKey
PFMPXXVALRHXMG-UHFFFAOYSA-NSynonyms
2((5(13benzodioxol5yl)4(prop2en1yl)4H124triazol3yl)sulfanyl)Nbenzylacetamide
2((5(13BENZODIOXOL5YL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)NBENZYLACETAMIDE
C=CCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4
InChI=1SC21H20N4O3Sc12102520(16891718(1116)28142717)232421(25)291319(26)2212156435715h2911H1101214H2(H2226)
MFCD07791835
ZINC000004736410
ZINC04736410
ZINC4736410
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