Vitas-M small molecule compound
3-[5-({2-[(2-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(4-fluorophenyl)propanamide
Catalog ID
STK230567
SMILES C=CCn1c(CCC(=O)Nc2ccc(cc2)F)nnc1SCC(=O)Nc1ccccc1Cl
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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 C22H21ClFN5O2S MW 473.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClFN5O2S/c1-2-13-29-19(11-12-20(30)25-16-9-7-15(24)8-10-16)27-28-22(29)32-14-21(31)26-18-6-4-3-5-17(18)23/h2-10H,1,11-14H2,(H,25,30)(H,26,31)InChIKey
QIJCXPTVSPBILX-UHFFFAOYSA-NSynonyms
3(5((2((2CHLOROPHENYL)AMINO)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)N(4FLUOROPHENYL)PROPANAMIDE
3(5(2(2CHLOROANILINO)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)N(4FLUOROPHENYL)PROPANAMIDE
C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2Cl)CCC(=O)NC3=CC=C(C=C3)F
InChI=1SC22H21ClFN5O2Sc12132919(111220(30)25169715(24)81016)272822(29)321421(31)2618643517(18)23h210H11114H2(H2530)(H2631)
MFCD07359328
ZINC000009289710
ZINC09289710
ZINC9289710
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