Vitas-M small molecule compound
N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carboxamide
Catalog ID
STK304153
SMILES CC1CCc2c(C1)sc1c2c(=O)n(c(n1)C)NC(=O)c1ccc(o1)Cn1ncc(c1)[N+](=O)[O-]
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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 C21H20N6O5S MW 468.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N6O5S/c1-11-3-5-15-17(7-11)33-20-18(15)21(29)26(12(2)23-20)24-19(28)16-6-4-14(32-16)10-25-9-13(8-22-25)27(30)31/h4,6,8-9,11H,3,5,7,10H2,1-2H3,(H,24,28)InChIKey
OKNBBKMDZPNZHW-UHFFFAOYSA-NSynonyms
1005655-45-71005655457
CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)C)NC(=O)C4=CC=C(O4)CN5C=C(C=N5)(N+)(=O)(O)
CC1CCc2c(C1)sc1c2c(=O)n(c(n1)C)NC(=O)c1ccc(o1)Cn1ncc(c1)(N+)(=O)(O)
InChI=1SC21H20N6O5Sc111351517(711)332018(15)21(29)26(12(2)2320)2419(28)166414(3216)1025913(82225)27(30)31h468911H35710H212H3(H2428)
MFCD04045470
N(27dimethyl4oxo5678tetrahydro(1)benzothieno(23d)pyrimidin3(4H)yl)5((4nitro1Hpyrazol1yl)methyl)furan2carboxamide
N(27dimethyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)5((4nitropyrazol1yl)methyl)furan2carboxamide
ZINC000002780164
ZINC000002780165
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