Vitas-M small molecule compound
1-methyl-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-4-nitro-1H-pyrazole-3-carboxamide
Catalog ID
STK303924
SMILES Cn1cc(c(n1)C(=O)Nn1c(C)nc2c(c1=O)c1CCCCCCc1s2)[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 C18H20N6O4S MW 416.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N6O4S/c1-10-19-17-14(11-7-5-3-4-6-8-13(11)29-17)18(26)23(10)21-16(25)15-12(24(27)28)9-22(2)20-15/h9H,3-8H2,1-2H3,(H,21,25)InChIKey
QLVWXRVUXUHOAZ-UHFFFAOYSA-NSynonyms
1005706-40-01005706400
1methylN(2methyl4oxo5678910hexahydrocycloocta(23)thieno(24d)pyrimidin3yl)4nitropyrazole3carboxamide
1methylN(2methyl4oxo5678910hexahydrocycloocta(45)thieno(23d)pyrimidin3(4H)yl)4nitro1Hpyrazole3carboxamide
CC1=NC2=C(C3=C(S2)CCCCCC3)C(=O)N1NC(=O)C4=NN(C=C4(N+)(=O)(O))C
Cn1cc(c(n1)C(=O)Nn1c(C)nc2c(c1=O)c1CCCCCCc1s2)(N+)(=O)(O)
InChI=1SC18H20N6O4Sc110191714(1175346813(11)2917)18(26)23(10)2116(25)1512(24(27)28)922(2)2015h9H38H212H3(H2125)
MFCD04045005
ZINC000002778876
ZINC02778876
ZINC2778876
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