Vitas-M small molecule compound

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

Catalog ID
STK430872
SMILES CCOC(=O)c1c(NC(=O)c2nn3c(c2)nc(cc3C(F)(F)F)c2ccc(c(c2)C)C)sc2c1CCC(C2)CC

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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 C29H29F3N4O3S MW 570.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29F3N4O3S/c1-5-17-8-10-19-22(12-17)40-27(25(19)28(38)39-6-2)34-26(37)21-14-24-33-20(18-9-7-15(3)16(4)11-18)13-23(29(30,31)32)36(24)35-21/h7,9,11,13-14,17H,5-6,8,10,12H2,1-4H3,(H,34,37)
InChIKey
URORIEDSTUBFDB-UHFFFAOYSA-N
Synonyms

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=NN4C(=CC(=NC4=C3)C5=CC(=C(C=C5)C)C)C(F)(F)F
ethyl2(((5(34dimethylphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)carbonyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((5(34dimethylphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidine2carbonyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC29H29F3N4O3Sc15178101922(1217)4027(25(19)28(38)3962)3426(37)2114243320(189715(3)16(4)1118)1323(29(3031)32)36(24)3521h7911131417H5681012H214H3(H3437)
MFCD03074394
ZINC000002111415
ZINC000002111417

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Available files

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