Vitas-M small molecule compound
ethyl 5-amino-1-[2-(benzylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]-1H-pyrazole-4-carboxylate
Catalog ID
STK557972
SMILES CCOC(=O)c1cnn(c1N)c1nc(SCc2ccccc2)nc2c1c1CCCCc1s2
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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 C23H23N5O2S2 MW 465.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O2S2/c1-2-30-22(29)16-12-25-28(19(16)24)20-18-15-10-6-7-11-17(15)32-21(18)27-23(26-20)31-13-14-8-4-3-5-9-14/h3-5,8-9,12H,2,6-7,10-11,13,24H2,1H3InChIKey
OWJBUZJJKJYCEG-UHFFFAOYSA-NSynonyms
1009769-98-51009769985
CCOC(=O)C1=C(N(N=C1)C2=C3C4=C(CCCC4)SC3=NC(=N2)SCC5=CC=CC=C5)N
ethyl5amino1(2(benzylsulfanyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4yl)1Hpyrazole4carboxylate
ethyl5amino1(2(benzylthio)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4yl)1Hpyrazole4carboxylate
ethyl5amino1(2benzylsulfanyl5678tetrahydro(1)benzothiolo(23d)pyrimidin4yl)pyrazole4carboxylate
InChI=1SC23H23N5O2S2c123022(29)16122528(19(16)24)20181510671117(15)3221(18)2723(2620)3113148435914h358912H26710111324H21H3
MFCD04029006
ZINC000002386088
ZINC02386088
ZINC2386088
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