Vitas-M small molecule compound
5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)furan-2-carboxamide
Catalog ID
STK304350
SMILES O=C(c1ccc(o1)Cn1nc(c(c1C)[N+](=O)[O-])C)Nn1c(C)nc2c(c1=O)c1CCCCc1s2
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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 C22H22N6O5S MW 482.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6O5S/c1-11-19(28(31)32)12(2)26(24-11)10-14-8-9-16(33-14)20(29)25-27-13(3)23-21-18(22(27)30)15-6-4-5-7-17(15)34-21/h8-9H,4-7,10H2,1-3H3,(H,25,29)InChIKey
GHBVMMWYHXOBDM-UHFFFAOYSA-NSynonyms
1005656-51-81005656518
5((35dimethyl4nitro1Hpyrazol1yl)methyl)N(2methyl4oxo5678tetrahydro(1)benzothieno(23d)pyrimidin3(4H)yl)furan2carboxamide
5((35dimethyl4nitropyrazol1yl)methyl)N(2methyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)furan2carboxamide
CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NN3C(=NC4=C(C3=O)C5=C(S4)CCCC5)C)C)(N+)(=O)(O)
InChI=1SC22H22N6O5Sc11119(28(31)32)12(2)26(2411)10148916(3314)20(29)252713(3)232118(22(27)30)15645717(15)3421h89H4710H213H3(H2529)
MFCD04049756
O=C(c1ccc(o1)Cn1nc(c(c1C)(N+)(=O)(O))C)Nn1c(C)nc2c(c1=O)c1CCCCc1s2
ZINC000002780745
ZINC02780745
ZINC2780745
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