Vitas-M small molecule compound
ethyl 2-({[7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK968320
SMILES CCOC(=O)c1c(NC(=O)c2nc3n(n2)C(CC(N3)C)C(F)F)sc2c1CCC(C2)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 C20H25F2N5O3S MW 453.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25F2N5O3S/c1-4-30-19(29)14-11-6-5-9(2)7-13(11)31-18(14)25-17(28)16-24-20-23-10(3)8-12(15(21)22)27(20)26-16/h9-10,12,15H,4-8H2,1-3H3,(H,25,28)(H,23,24,26)InChIKey
WZXJYSAKOXTCJJ-UHFFFAOYSA-NSynonyms
1005177-83-21005177832
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=NC4=NC(CC(N4N3)C(F)F)C
ethyl2(((7(difluoromethyl)5methyl4567tetrahydro(124)triazolo(15a)pyrimidin2yl)carbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((7(difluoromethyl)5methyl1567tetrahydro(124)triazolo(15a)pyrimidine2carbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC20H25F2N5O3Sc143019(29)1411659(2)713(11)3118(14)2517(28)1624202310(3)812(15(21)22)27(20)2616h9101215H48H213H3(H2528)(H232426)
MFCD02243553
ZINC000008454496
ZINC000017136333
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