Vitas-M small molecule compound

methyl 2-({[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Catalog ID
STK307236
SMILES COC(=O)c1c(sc2c1CCCCC2)NC(=O)c1cnn2c1nc(cc2C(F)F)c1ccccc1

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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 C25H22F2N4O3S MW 496.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22F2N4O3S/c1-34-25(33)20-15-10-6-3-7-11-19(15)35-24(20)30-23(32)16-13-28-31-18(21(26)27)12-17(29-22(16)31)14-8-4-2-5-9-14/h2,4-5,8-9,12-13,21H,3,6-7,10-11H2,1H3,(H,30,32)
InChIKey
SURVAKILOGSCPI-UHFFFAOYSA-N
Synonyms
828290-64-8
828290648
COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=C4N=C(C=C(N4N=C3)C(F)F)C5=CC=CC=C5
InChI=1SC25H22F2N4O3Sc13425(33)2015106371119(15)3524(20)3023(32)1613283118(21(26)27)1217(2922(16)31)148425914h24589121321H3671011H21H3(H3032)
methyl2(((7(difluoromethyl)5phenylpyrazolo(15a)pyrimidin3yl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((7(difluoromethyl)5phenylpyrazolo(15a)pyrimidine3carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD04056641
ZINC000002793254
ZINC02793254
ZINC2793254

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.