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)-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide
Catalog ID
STK303565
SMILES CC1CCc2c(C1)sc1c2c(=O)n(c(n1)C)NC(=O)c1n(C)nc(c1[N+](=O)[O-])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 C18H20N6O4S MW 416.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N6O4S/c1-8-5-6-11-12(7-8)29-17-13(11)18(26)23(10(3)19-17)21-16(25)15-14(24(27)28)9(2)20-22(15)4/h8H,5-7H2,1-4H3,(H,21,25)InChIKey
AAZLYGAUTRLAPL-UHFFFAOYSA-NSynonyms
1005704-01-71005704017
CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)C)NC(=O)C4=C(C(=NN4C)C)(N+)(=O)(O)
CC1CCc2c(C1)sc1c2c(=O)n(c(n1)C)NC(=O)c1n(C)nc(c1(N+)(=O)(O))C
InChI=1SC18H20N6O4Sc18561112(78)291713(11)18(26)23(10(3)1917)2116(25)1514(24(27)28)9(2)2022(15)4h8H57H214H3(H2125)
MFCD04042493
N(27dimethyl4oxo5678tetrahydro(1)benzothieno(23d)pyrimidin3(4H)yl)13dimethyl4nitro1Hpyrazole5carboxamide
N(27dimethyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)25dimethyl4nitropyrazole3carboxamide
ZINC000002777775
ZINC000002777776
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