Vitas-M small molecule compound

3-butyl-9-(methoxymethyl)-7-methyl-2-(4-nitrophenyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

Catalog ID
STK785407
SMILES CCCCn1c(nc2c(c1=O)sc1c2c(COC)cc(n1)C)c1ccc(cc1)[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 C22H22N4O4S MW 438.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S/c1-4-5-10-25-20(14-6-8-16(9-7-14)26(28)29)24-18-17-15(12-30-3)11-13(2)23-21(17)31-19(18)22(25)27/h6-9,11H,4-5,10,12H2,1-3H3
InChIKey
DAGNIQYCDQJVOB-UHFFFAOYSA-N
Synonyms

3butyl9(methoxymethyl)7methyl2(4nitrophenyl)pyrido(12)thieno(34b)pyrimidin4one
3butyl9(methoxymethyl)7methyl2(4nitrophenyl)pyrido(3245)thieno(32d)pyrimidin4(3H)one
CCCCN1C(=NC2=C(C1=O)SC3=C2C(=CC(=N3)C)COC)C4=CC=C(C=C4)(N+)(=O)(O)
CCCCn1c(nc2c(c1=O)sc1c2c(COC)cc(n1)C)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC22H22N4O4Sc145102520(146816(9714)26(28)29)24181715(12303)1113(2)2321(17)3119(18)22(25)27h6911H451012H213H3
MFCD07658599
ZINC000012410998
ZINC12410998

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Available files

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