Vitas-M small molecule compound
2-fluoro-N-{[4-methyl-5-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK211505
SMILES O=C(CSc1nnc(n1C)CNC(=O)c1ccccc1F)NCCc1ccccc1
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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 C21H22FN5O2S MW 427.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FN5O2S/c1-27-18(13-24-20(29)16-9-5-6-10-17(16)22)25-26-21(27)30-14-19(28)23-12-11-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,23,28)(H,24,29)InChIKey
LDSMRCWTPRJKCC-UHFFFAOYSA-NSynonyms
2FLUORON((4METHYL5((2OXO2((2PHENYLETHYL)AMINO)ETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
2fluoroN((4methyl5(2oxo2(2phenylethylamino)ethyl)sulfanyl124triazol3yl)methyl)benzamide
2FLUORON(4METHYL5(PHENETHYLCARBAMOYLMETHYLSULFANYL)4H(124)TRIAZOL3YLMETHYL)BENZAMIDE
CN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)CNC(=O)C3=CC=CC=C3F
InChI=1SC21H22FN5O2Sc12718(132420(29)169561017(16)22)252621(27)301419(28)231211157324815h210H1114H21H3(H2328)(H2429)
MFCD04382691
ZINC000009261109
ZINC09261109
ZINC9261109
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