Vitas-M small molecule compound
1,3-dimethyl-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)-4-nitro-1H-pyrazole-5-carboxamide
Catalog ID
STK303290
SMILES O=C(c1n(C)nc(c1[N+](=O)[O-])C)Nn1c(C)nc2c(c1=O)c1CCCc1s2
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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 C16H16N6O4S MW 388.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N6O4S/c1-7-12(22(25)26)13(20(3)18-7)14(23)19-21-8(2)17-15-11(16(21)24)9-5-4-6-10(9)27-15/h4-6H2,1-3H3,(H,19,23)InChIKey
RREXXURLJSUMPH-UHFFFAOYSA-NSynonyms
1005650-01-01005650010
13dimethylN(2methyl4oxo67dihydro4Hcyclopenta(45)thieno(23d)pyrimidin3(5H)yl)4nitro1Hpyrazole5carboxamide
25dimethylN(3methyl1oxo78dihydro6Hcyclopenta(23)thieno(24d)pyrimidin2yl)4nitropyrazole3carboxamide
CC1=NN(C(=C1(N+)(=O)(O))C(=O)NN2C(=NC3=C(C2=O)C4=C(S3)CCC4)C)C
InChI=1SC16H16N6O4Sc1712(22(25)26)13(20(3)187)14(23)19218(2)171511(16(21)24)954610(9)2715h46H213H3(H1923)
MFCD04043509
O=C(c1n(C)nc(c1(N+)(=O)(O))C)Nn1c(C)nc2c(c1=O)c1CCCc1s2
ZINC000002775042
ZINC02775042
ZINC2775042
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