Vitas-M small molecule compound
methyl 2-({[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK315536
SMILES COC(=O)c1c(NC(=O)Cn2nc(c(c2C)Br)C(F)(F)F)sc2c1CCCCCC2
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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 C19H21BrF3N3O3S MW 508.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21BrF3N3O3S/c1-10-15(20)16(19(21,22)23)25-26(10)9-13(27)24-17-14(18(28)29-2)11-7-5-3-4-6-8-12(11)30-17/h3-9H2,1-2H3,(H,24,27)InChIKey
IWDWYZWKFBZYGL-UHFFFAOYSA-NSynonyms
489407-55-8489407558
CC1=C(C(=NN1CC(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC)C(F)(F)F)Br
InChI=1SC19H21BrF3N3O3Sc11015(20)16(19(2122)23)2526(10)913(27)241714(18(28)292)1175346812(11)3017h39H212H3(H2427)
methyl2(((4bromo5methyl3(trifluoromethyl)1Hpyrazol1yl)acetyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2((2(4bromo5methyl3(trifluoromethyl)pyrazol1yl)acetyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD01450174
ZINC000002741403
ZINC02741403
ZINC2741403
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