Vitas-M small molecule compound
5-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Catalog ID
STK529543
SMILES CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)S(=O)(=O)N1CCCCCC1)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 C23H31N5O4S MW 473.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31N5O4S/c1-4-10-18-20-21(27(3)26-18)23(29)25-22(24-20)17-15-16(11-12-19(17)32-5-2)33(30,31)28-13-8-6-7-9-14-28/h11-12,15H,4-10,13-14H2,1-3H3,(H,24,25,29)InChIKey
ZKYYTZXPIIVTBW-UHFFFAOYSA-NSynonyms
372084-77-0372084770
5(5(azepan1ylsulfonyl)2ethoxyphenyl)1methyl3propyl16dihydro7Hpyrazolo(43d)pyrimidin7one
5(5(azepan1ylsulfonyl)2ethoxyphenyl)1methyl3propyl1Hpyrazolo(43d)pyrimidin7(6H)one
5(5(AZEPAN1YLSULFONYL)2ETHOXYPHENYL)1METHYL3PROPYL4HPYRAZOLO(43D)PYRIMIDIN7ONE
CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OCC)C
CCCc1nn(c2c1nc((nH)c2=O)c1cc(ccc1OCC)S(=O)(=O)N1CCCCCC1)C
InChI=1SC23H31N5O4Sc1410182021(27(3)2618)23(29)2522(2420)171516(111219(17)3252)33(3031)281386791428h111215H4101314H213H3(H242529)
MFCD01877081
ZINC000002272297
ZINC02272297
ZINC2272297
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