Vitas-M small molecule compound

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

Catalog ID
STK537170
SMILES COc1ccc(cc1)c1nc2c(Br)c(nn2c(c1)C(F)(F)F)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2

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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 C27H24BrF3N4O4S MW 637.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24BrF3N4O4S/c1-13(2)39-26(37)20-16-6-4-5-7-18(16)40-25(20)33-24(36)22-21(28)23-32-17(14-8-10-15(38-3)11-9-14)12-19(27(29,30)31)35(23)34-22/h8-13H,4-7H2,1-3H3,(H,33,36)
InChIKey
ACXPZSNIOHSXNI-UHFFFAOYSA-N
Synonyms
329078-16-2
329078162
CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NN4C(=CC(=NC4=C3Br)C5=CC=C(C=C5)OC)C(F)(F)F
InChI=1SC27H24BrF3N4O4Sc113(2)3926(37)2016645718(16)4025(20)3324(36)2221(28)233217(1481015(383)11914)1219(27(2930)31)35(23)3422h813H47H213H3(H3336)
isopropyl2(3bromo5(4methoxyphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidine2carboxamido)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD01450747
propan2yl2(((3bromo5(4methoxyphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((3bromo5(4methoxyphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidine2carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000008397161
ZINC08397161
ZINC8397161

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Available files

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