Vitas-M small molecule compound

ethyl 2-({[3-chloro-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK377415
SMILES CCOC(=O)c1c(sc2c1CCCC2)NC(=O)c1nn2c(c1Cl)nc(cc2C(F)(F)F)c1ccc(c(c1)OC)OC

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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 C27H24ClF3N4O5S MW 609.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24ClF3N4O5S/c1-4-40-26(37)20-14-7-5-6-8-18(14)41-25(20)33-24(36)22-21(28)23-32-15(12-19(27(29,30)31)35(23)34-22)13-9-10-16(38-2)17(11-13)39-3/h9-12H,4-8H2,1-3H3,(H,33,36)
InChIKey
LXOCAXOWBKKXHN-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NN4C(=CC(=NC4=C3Cl)C5=CC(=C(C=C5)OC)OC)C(F)(F)F
ethyl2(((3chloro5(34dimethoxyphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((3chloro5(34dimethoxyphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidine2carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC27H24ClF3N4O5Sc144026(37)2014756818(14)4125(20)3324(36)2221(28)233215(1219(27(2930)31)35(23)3422)1391016(382)17(1113)393h912H48H213H3(H3336)
MFCD01529284
ZINC000004181779
ZINC4181779

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Available files

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