Vitas-M small molecule compound

butan-2-yl 2-({[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STL398540
SMILES CCC(OC(=O)c1c(sc2c1CCCC2)NC(=O)c1cnn2c1nc(cc2C(F)F)c1ccccc1)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 C27H26F2N4O3S MW 524.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26F2N4O3S/c1-3-15(2)36-27(35)22-17-11-7-8-12-21(17)37-26(22)32-25(34)18-14-30-33-20(23(28)29)13-19(31-24(18)33)16-9-5-4-6-10-16/h4-6,9-10,13-15,23H,3,7-8,11-12H2,1-2H3,(H,32,34)
InChIKey
MJYGRFXIRVUJJN-UHFFFAOYSA-N
Synonyms
445037-00-3
445037003
butan2yl2(((7(difluoromethyl)5phenylpyrazolo(15a)pyrimidin3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
butan2yl2((7(difluoromethyl)5phenylpyrazolo(15a)pyrimidine3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C4N=C(C=C(N4N=C3)C(F)F)C5=CC=CC=C5
InChI=1SC27H26F2N4O3Sc1315(2)3627(35)221711781221(17)3726(22)3225(34)1814303320(23(28)29)1319(3124(18)33)1695461016h46910131523H3781112H212H3(H3234)
MFCD02243617
ZINC000002107667
ZINC000002107670

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Available files

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