Vitas-M small molecule compound
ethyl 2-{[(1-methyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STL404312
SMILES CCOC(=O)c1c(NC(=O)Cn2cnc3c(c2=O)cnn3C)sc2c1CCCCC2
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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 C20H23N5O4S MW 429.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N5O4S/c1-3-29-20(28)16-12-7-5-4-6-8-14(12)30-18(16)23-15(26)10-25-11-21-17-13(19(25)27)9-22-24(17)2/h9,11H,3-8,10H2,1-2H3,(H,23,26)InChIKey
QDDZDYVAKVCSGA-UHFFFAOYSA-NSynonyms
938018-48-5938018485
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CN3C=NC4=C(C3=O)C=NN4C
ethyl2(((1methyl4oxo14dihydro5Hpyrazolo(34d)pyrimidin5yl)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((2(1methyl4oxopyrazolo(34d)pyrimidin5yl)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC20H23N5O4Sc132920(28)16127546814(12)3018(16)2315(26)102511211713(19(25)27)92224(17)2h911H3810H212H3(H2326)
MFCD08558741
ZINC000020607115
ZINC20607115
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