Vitas-M small molecule compound
N-{[5-({2-[(3-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}-4-methoxybenzamide
Catalog ID
STK186884
SMILES C=CCn1c(CNC(=O)c2ccc(cc2)OC)nnc1SCC(=O)Nc1cccc(c1)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 C22H22FN5O3S MW 455.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22FN5O3S/c1-3-11-28-19(13-24-21(30)15-7-9-18(31-2)10-8-15)26-27-22(28)32-14-20(29)25-17-6-4-5-16(23)12-17/h3-10,12H,1,11,13-14H2,2H3,(H,24,30)(H,25,29)InChIKey
IFNCGENOKCHIHH-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2CC=C)SCC(=O)NC3=CC(=CC=C3)F
InChI=1SC22H22FN5O3Sc13112819(132421(30)157918(312)10815)262722(28)321420(29)251764516(23)1217h31012H1111314H22H3(H2430)(H2529)
MFCD06630816
N((5((2((3FLUOROPHENYL)AMINO)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)METHYL)4METHOXYBENZAMIDE
N((5(2(3FLUOROANILINO)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)METHYL)4METHOXYBENZAMIDE
ZINC000002885316
ZINC02885316
ZINC2885316
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