Vitas-M small molecule compound
2-[5-({2-[(4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
Catalog ID
STK186797
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)[N+](=O)[O-])nnc1CC(=O)Nc1cccc(c1)C(F)(F)F
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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 C22H19F3N6O4S MW 520.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19F3N6O4S/c1-2-10-30-18(12-19(32)27-16-5-3-4-14(11-16)22(23,24)25)28-29-21(30)36-13-20(33)26-15-6-8-17(9-7-15)31(34)35/h2-9,11H,1,10,12-13H2,(H,26,33)(H,27,32)InChIKey
DYKKOJRCLMRKED-UHFFFAOYSA-NSynonyms
2(5((2((4NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)N(3(TRIFLUOROMETHYL)PHENYL)ACETAMIDE
2(5(2(4NITROANILINO)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)N(3(TRIFLUOROMETHYL)PHENYL)ACETAMIDE
C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)(N+)(=O)(O))CC(=O)NC3=CC=CC(=C3)C(F)(F)F
C=CCn1c(SCC(=O)Nc2ccc(cc2)(N+)(=O)(O))nnc1CC(=O)Nc1cccc(c1)C(F)(F)F
InChI=1SC22H19F3N6O4Sc12103018(1219(32)271653414(1116)22(2324)25)282921(30)361320(33)26156817(9715)31(34)35h2911H1101213H2(H2633)(H2732)
MFCD05998975
ZINC000059612080
ZINC59612080
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