Vitas-M small molecule compound
N-{[5-({2-[(3-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide
Catalog ID
STK218903
SMILES O=C(Nc1cccc(c1)F)CSc1nnc(n1C)CNC(=O)c1cccc(c1)C
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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 C20H20FN5O2S MW 413.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20FN5O2S/c1-13-5-3-6-14(9-13)19(28)22-11-17-24-25-20(26(17)2)29-12-18(27)23-16-8-4-7-15(21)10-16/h3-10H,11-12H2,1-2H3,(H,22,28)(H,23,27)InChIKey
CWAIGSCOBXIQHD-UHFFFAOYSA-NSynonyms
CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)NC3=CC(=CC=C3)F
InChI=1SC20H20FN5O2Sc11353614(913)19(28)221117242520(26(17)2)291218(27)231684715(21)1016h310H1112H212H3(H2228)(H2327)
MFCD06000115
N((5((2((3FLUOROPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)3METHYLBENZAMIDE
N((5(2(3FLUOROANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)3METHYLBENZAMIDE
ZINC000001074274
ZINC01074274
ZINC1074274
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