Vitas-M small molecule compound
2-[5-({2-[(3-chloro-4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(4-methoxyphenyl)acetamide
Catalog ID
STK186805
SMILES C=CCn1c(nnc1SCC(=O)Nc1ccc(c(c1)Cl)F)CC(=O)Nc1ccc(cc1)OC
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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 C22H21ClFN5O3S MW 489.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClFN5O3S/c1-3-10-29-19(12-20(30)25-14-4-7-16(32-2)8-5-14)27-28-22(29)33-13-21(31)26-15-6-9-18(24)17(23)11-15/h3-9,11H,1,10,12-13H2,2H3,(H,25,30)(H,26,31)InChIKey
VUABZMSGBLXLNY-UHFFFAOYSA-NSynonyms
2(5((2((3CHLORO4FLUOROPHENYL)AMINO)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)N(4METHOXYPHENYL)ACETAMIDE
2(5(2(3CHLORO4FLUOROANILINO)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)N(4METHOXYPHENYL)ACETAMIDE
COC1=CC=C(C=C1)NC(=O)CC2=NN=C(N2CC=C)SCC(=O)NC3=CC(=C(C=C3)F)Cl
InChI=1SC22H21ClFN5O3Sc13102919(1220(30)25144716(322)8514)272822(29)331321(31)26156918(24)17(23)1115h3911H1101213H22H3(H2530)(H2631)
MFCD06622264
ZINC000002867121
ZINC02867121
ZINC2867121
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