Vitas-M small molecule compound
N-(6,6-dimethyl-4-oxo-2-propyl-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(6H)-yl)-4-nitrobenzamide
Catalog ID
STL324036
SMILES CCCc1nc2sc3c(c2c(=O)n1NC(=O)c1ccc(cc1)[N+](=O)[O-])CC(OC3)(C)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 C21H22N4O5S MW 442.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O5S/c1-4-5-16-22-19-17(14-10-21(2,3)30-11-15(14)31-19)20(27)24(16)23-18(26)12-6-8-13(9-7-12)25(28)29/h6-9H,4-5,10-11H2,1-3H3,(H,23,26)InChIKey
DLFQAABZRBHRPP-UHFFFAOYSA-NSynonyms
300718-31-4300718314
CCCC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1NC(=O)C4=CC=C(C=C4)(N+)(=O)(O)
CCCc1nc2sc3c(c2c(=O)n1NC(=O)c1ccc(cc1)(N+)(=O)(O))CC(OC3)(C)C
InChI=1SC21H22N4O5Sc14516221917(141021(23)301115(14)3119)20(27)24(16)2318(26)126813(9712)25(28)29h69H451011H213H3(H2326)
MFCD00289536
N(66dimethyl4oxo2propyl4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin3yl)4nitrobenzamide
N(66dimethyl4oxo2propyl58dihydro4Hpyrano(4345)thieno(23d)pyrimidin3(6H)yl)4nitrobenzamide
N(66dimethyl4oxo2propyl58dihydropyrano(23)thieno(24d)pyrimidin3yl)4nitrobenzamide
ZINC000000852972
ZINC00852972
ZINC852972
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