Vitas-M small molecule compound
2-{[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Catalog ID
STK154277
SMILES C=CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1c1ccc(cc1)[N+](=O)[O-]
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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 C20H16F3N5O3S MW 463.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16F3N5O3S/c1-2-11-27-18(13-7-9-14(10-8-13)28(30)31)25-26-19(27)32-12-17(29)24-16-6-4-3-5-15(16)20(21,22)23/h2-10H,1,11-12H2,(H,24,29)InChIKey
KJDYZMGUYCHZAT-UHFFFAOYSA-NSynonyms
2((5(4NITROPHENYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)N(2(TRIFLUOROMETHYL)PHENYL)ACETAMIDE
2((5(4NITROPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)N(2(TRIFLUOROMETHYL)PHENYL)ACETAMIDE
C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(F)(F)F)C3=CC=C(C=C3)(N+)(=O)(O)
C=CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1c1ccc(cc1)(N+)(=O)(O)
InChI=1SC20H16F3N5O3Sc12112718(137914(10813)28(30)31)252619(27)321217(29)2416643515(16)20(2122)23h210H11112H2(H2429)
MFCD03995182
ZINC000001142287
ZINC01142287
ZINC1142287
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