Vitas-M small molecule compound
ethyl 5-amino-1-(2-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-1H-pyrazole-4-carboxylate
Catalog ID
STK720915
SMILES CCOC(=O)c1cnn(c1N)c1nc(nc2c1c1CCCCc1s2)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 C22H21N5O2S MW 419.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O2S/c1-2-29-22(28)15-12-24-27(18(15)23)20-17-14-10-6-7-11-16(14)30-21(17)26-19(25-20)13-8-4-3-5-9-13/h3-5,8-9,12H,2,6-7,10-11,23H2,1H3InChIKey
KPXCASDRGRUTPC-UHFFFAOYSA-NSynonyms
917207-41-1917207411
CCOC(=O)C1=C(N(N=C1)C2=C3C4=C(CCCC4)SC3=NC(=N2)C5=CC=CC=C5)N
ethyl5amino1(2phenyl5678tetrahydro(1)benzothieno(23d)pyrimidin4yl)1Hpyrazole4carboxylate
ethyl5amino1(2phenyl5678tetrahydro(1)benzothiolo(23d)pyrimidin4yl)pyrazole4carboxylate
ethyl5amino1(2phenyl5678tetrahydrobenzo(45)thieno(23d)pyrimidin4yl)1Hpyrazole4carboxylate
InChI=1SC22H21N5O2Sc122922(28)15122427(18(15)23)20171410671116(14)3021(17)2619(2520)138435913h358912H267101123H21H3
MFCD03689163
ZINC000005065798
ZINC05065798
ZINC5065798
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