Vitas-M small molecule compound
N-{[5-({2-[(3-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-4-methoxybenzamide
Catalog ID
STK218977
SMILES COc1ccc(cc1)C(=O)NCc1nnc(n1c1ccccc1)SCC(=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 C25H22FN5O3S MW 491.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22FN5O3S/c1-34-21-12-10-17(11-13-21)24(33)27-15-22-29-30-25(31(22)20-8-3-2-4-9-20)35-16-23(32)28-19-7-5-6-18(26)14-19/h2-14H,15-16H2,1H3,(H,27,33)(H,28,32)InChIKey
VLRXCAIEVJBBTM-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC(=CC=C4)F
InChI=1SC25H22FN5O3Sc13421121017(111321)24(33)271522293025(31(22)208324920)351623(32)281975618(26)1419h214H1516H21H3(H2733)(H2832)
MFCD06000669
N((5((2((3FLUOROPHENYL)AMINO)2OXOETHYL)SULFANYL)4PHENYL4H124TRIAZOL3YL)METHYL)4METHOXYBENZAMIDE
N((5(2(3FLUOROANILINO)2OXOETHYL)SULFANYL4PHENYL124TRIAZOL3YL)METHYL)4METHOXYBENZAMIDE
ZINC000002868761
ZINC02868761
ZINC2868761
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