Vitas-M small molecule compound
ethyl 5-amino-1-(4-hydroxy-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-1H-pyrazole-4-carboxylate
Catalog ID
STL045249
SMILES CCOC(=O)c1cnn(c1N)c1nc(O)c2c(n1)sc1c2CC(OC1)(C)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 C17H19N5O4S MW 389.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N5O4S/c1-4-25-15(24)9-6-19-22(12(9)18)16-20-13(23)11-8-5-17(2,3)26-7-10(8)27-14(11)21-16/h6H,4-5,7,18H2,1-3H3,(H,20,21,23)InChIKey
VDSBQTACQPAVJT-UHFFFAOYSA-NSynonyms
1003989-13-61003989136
CCOC(=O)C1=C(N(N=C1)C2=NC3=C(C4=C(S3)COC(C4)(C)C)C(=O)N2)N
ethyl5amino1(4hydroxy66dimethyl58dihydro6Hpyrano(4345)thieno(23d)pyrimidin2yl)1Hpyrazole4carboxylate
ethyl5amino1(66dimethyl4oxo58dihydro3Hpyrano(23)thieno(24b)pyrimidin2yl)pyrazole4carboxylate
InChI=1SC17H19N5O4Sc142515(24)961922(12(9)18)162013(23)118517(23)26710(8)2714(11)2116h6H45718H213H3(H202123)
MFCD04075311
ZINC000017195392
ZINC17195392
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