Vitas-M small molecule compound

ethyl 2-({[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Catalog ID
STL052142
SMILES CCOC(=O)c1c(NC(=O)c2cc3n(n2)c(cc(n3)c2ccc(cc2)OC)C(F)(F)F)sc2c1CCCCC2

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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/c1-3-38-26(36)23-17-7-5-4-6-8-20(17)39-25(23)32-24(35)19-14-22-31-18(15-9-11-16(37-2)12-10-15)13-21(27(28,29)30)34(22)33-19/h9-14H,3-8H2,1-2H3,(H,32,35)
InChIKey
SDSGMWANDCBZQT-UHFFFAOYSA-N
Synonyms
312699-26-6
312699266
CCOC(=O)C1=C(SC2=C1CCCCC2)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)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((5(4methoxyphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidine2carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2(5(4methoxyphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidine2carboxamido)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC27H25F3N4O4Sc133826(36)23177546820(17)3925(23)3224(35)1914223118(1591116(372)121015)1321(27(2829)30)34(22)3319h914H38H212H3(H3235)
MFCD01450827
ZINC000001815529
ZINC01815529
ZINC1815529

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Available files

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