Vitas-M small molecule compound
3-(2-hydroxyethyl)-9-(methoxymethyl)-7-methyl-2-(2-nitrophenyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Catalog ID
STK688768
SMILES COCc1cc(C)nc2c1c1nc(n(c(=O)c1s2)CCO)c1ccccc1[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 C20H18N4O5S MW 426.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O5S/c1-11-9-12(10-29-2)15-16-17(30-19(15)21-11)20(26)23(7-8-25)18(22-16)13-5-3-4-6-14(13)24(27)28/h3-6,9,25H,7-8,10H2,1-2H3InChIKey
KFOIIIXMUZMBJU-UHFFFAOYSA-NSynonyms
3(2hydroxyethyl)9(methoxymethyl)7methyl2(2nitrophenyl)pyrido(12)thieno(34b)pyrimidin4one
3(2hydroxyethyl)9(methoxymethyl)7methyl2(2nitrophenyl)pyrido(3245)thieno(32d)pyrimidin4(3H)one
CC1=NC2=C(C(=C1)COC)C3=C(S2)C(=O)N(C(=N3)C4=CC=CC=C4(N+)(=O)(O))CCO
COCc1cc(C)nc2c1c1nc(n(c(=O)c1s2)CCO)c1ccccc1(N+)(=O)(O)
InChI=1SC20H18N4O5Sc111912(10292)151617(3019(15)2111)20(26)23(7825)18(2216)13534614(13)24(27)28h36925H7810H212H3
MFCD07658604
ZINC000012445638
ZINC12445638
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