Vitas-M small molecule compound

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

Catalog ID
STL055214
SMILES CCOC(=O)c1c(NC(=O)c2nn3c(c2)nc(cc3C(F)(F)F)c2ccc(cc2)OC)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 C27H25F3N4O4S MW 558.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25F3N4O4S/c1-4-38-26(36)23-17-10-5-14(2)11-20(17)39-25(23)32-24(35)19-13-22-31-18(15-6-8-16(37-3)9-7-15)12-21(27(28,29)30)34(22)33-19/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,32,35)
InChIKey
PGDAETPILLDLSH-UHFFFAOYSA-N
Synonyms
313248-65-6
313248656
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=C(C=C5)OC)C(F)(F)F
ethyl2(((5(4methoxyphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)carbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((5(4methoxyphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidine2carbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2(5(4methoxyphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidine2carboxamido)6methyl4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC27H25F3N4O4Sc143826(36)231710514(2)1120(17)3925(23)3224(35)1913223118(156816(373)9715)1221(27(2829)30)34(22)3319h691214H451011H213H3(H3235)
MFCD01417701
ZINC000001877860
ZINC000001877863

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Available files

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