Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-{[5-(2-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK218709
SMILES C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1c1ccccc1C
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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(16-7-5-4-6-14(16)2)23-24-21(25)29-12-19(26)22-15-8-9-17-18(11-15)28-13-27-17/h3-9,11H,1,10,12-13H2,2H3,(H,22,26)InChIKey
DAIUHEAEBQNTAS-UHFFFAOYSA-NSynonyms
878426-86-92((4allyl5(otolyl)4H124triazol3yl)thio)N(benzo(d)(13)dioxol5yl)acetamide
878426869
CC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)NC3=CC4=C(C=C3)OCO4
InChI=1SC21H20N4O3Sc13102520(16754614(16)2)232421(25)291219(26)2215891718(1115)28132717h3911H1101213H22H3(H2226)
MFCD06611237
N(13BENZODIOXOL5YL)2((5(2METHYLPHENYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(13BENZODIOXOL5YL)2((5(2METHYLPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2H13BENZODIOXOL5YL)2((5(2METHYLPHENYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2HBENZO(34D)13DIOXOLAN5YL)2(5(2METHYLPHENYL)4PROP2ENYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000002352987
ZINC02352987
ZINC2352987
Check stock
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Check stock on Vitas-MAvailable files
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