Vitas-M small molecule compound

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

Catalog ID
STK695064
SMILES COCc1cc(C)nc2c1c1nc(c3ccc(cc3)[N+](=O)[O-])n(c(=O)c1s2)CCCN(CC)CC

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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 C25H29N5O4S MW 495.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N5O4S/c1-5-28(6-2)12-7-13-29-23(17-8-10-19(11-9-17)30(32)33)27-21-20-18(15-34-4)14-16(3)26-24(20)35-22(21)25(29)31/h8-11,14H,5-7,12-13,15H2,1-4H3
InChIKey
CHDXYEUQIQSTHT-UHFFFAOYSA-N
Synonyms

3(3(diethylamino)propyl)9(methoxymethyl)7methyl2(4nitrophenyl)pyrido(12)thieno(34b)pyrimidin4one
3(3(diethylamino)propyl)9(methoxymethyl)7methyl2(4nitrophenyl)pyrido(3245)thieno(32d)pyrimidin4(3H)one
CCN(CC)CCCN1C(=NC2=C(C1=O)SC3=C2C(=CC(=N3)C)COC)C4=CC=C(C=C4)(N+)(=O)(O)
COCc1cc(C)nc2c1c1nc(c3ccc(cc3)(N+)(=O)(O))n(c(=O)c1s2)CCCN(CC)CC
InChI=1SC25H29N5O4Sc1528(62)127132923(1781019(11917)30(32)33)27212018(15344)1416(3)2624(20)3522(21)25(29)31h81114H57121315H214H3
MFCD12035298
ZINC000035326858
ZINC35326858

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Available files

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