Vitas-M small molecule compound
N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carboxamide
Catalog ID
STK304336
SMILES O=C(c1ccc(o1)Cn1ncc(c1)[N+](=O)[O-])Nn1c(C)nc2c(c1=O)c1CCCCCCc1s2
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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/c1-13-24-21-19(16-6-4-2-3-5-7-18(16)34-21)22(30)27(13)25-20(29)17-9-8-15(33-17)12-26-11-14(10-23-26)28(31)32/h8-11H,2-7,12H2,1H3,(H,25,29)InChIKey
FJFRSEWQTDSIGI-UHFFFAOYSA-NSynonyms
1005708-70-21005708702
CC1=NC2=C(C3=C(S2)CCCCCC3)C(=O)N1NC(=O)C4=CC=C(O4)CN5C=C(C=N5)(N+)(=O)(O)
InChI=1SC22H22N6O5Sc113242119(1664235718(16)3421)22(30)27(13)2520(29)179815(3317)12261114(102326)28(31)32h811H2712H21H3(H2529)
MFCD04047105
N(2methyl4oxo5678910hexahydrocycloocta(23)thieno(24d)pyrimidin3yl)5((4nitropyrazol1yl)methyl)furan2carboxamide
N(2methyl4oxo5678910hexahydrocycloocta(45)thieno(23d)pyrimidin3(4H)yl)5((4nitro1Hpyrazol1yl)methyl)furan2carboxamide
O=C(c1ccc(o1)Cn1ncc(c1)(N+)(=O)(O))Nn1c(C)nc2c(c1=O)c1CCCCCCc1s2
ZINC000002780702
ZINC02780702
ZINC2780702
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