Vitas-M small molecule compound
2-fluoro-N-{1-[5-{[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Catalog ID
STK343824
SMILES C=CCn1c(SCC(=O)N2CCN(CC2)C)nnc1C(NC(=O)c1ccccc1F)C
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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 C21H27FN6O2S MW 446.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27FN6O2S/c1-4-9-28-19(15(2)23-20(30)16-7-5-6-8-17(16)22)24-25-21(28)31-14-18(29)27-12-10-26(3)11-13-27/h4-8,15H,1,9-14H2,2-3H3,(H,23,30)InChIKey
SRKPCJNOJNGGRE-UHFFFAOYSA-NSynonyms
2FLUORON(1(5((2(4METHYLPIPERAZIN1YL)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
2fluoroN(1(5(2(4methylpiperazin1yl)2oxoethyl)sulfanyl4prop2enyl124triazol3yl)ethyl)benzamide
CC(C1=NN=C(N1CC=C)SCC(=O)N2CCN(CC2)C)NC(=O)C3=CC=CC=C3F
InChI=1SC21H27FN6O2Sc1492819(15(2)2320(30)16756817(16)22)242521(28)311418(29)27121026(3)111327h4815H1914H223H3(H2330)
MFCD09964887
ZINC000012851154
ZINC000012851163
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