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-(2-methylphenyl)acetamide
Catalog ID
STK231057
SMILES C=CCn1c(SCC(=O)Nc2ccccc2C)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/c1-3-10-25-20(15-8-9-17-18(11-15)28-13-27-17)23-24-21(25)29-12-19(26)22-16-7-5-4-6-14(16)2/h3-9,11H,1,10,12-13H2,2H3,(H,22,26)InChIKey
BBVPTZVMZLFJEA-UHFFFAOYSA-NSynonyms
2((5(13benzodioxol5yl)4(prop2en1yl)4H124triazol3yl)sulfanyl)N(2methylphenyl)acetamide
2((5(13BENZODIOXOL5YL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)N(2METHYLPHENYL)ACETAMIDE
CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)C3=CC4=C(C=C3)OCO4
InChI=1SC21H20N4O3Sc13102520(15891718(1115)28132717)232421(25)291219(26)2216754614(16)2h3911H1101213H22H3(H2226)
MFCD07791849
ZINC000004736413
ZINC04736413
ZINC4736413
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