Vitas-M small molecule compound
3-(4-methoxybenzyl)-2-(4-nitrophenyl)-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione
Catalog ID
STK715819
SMILES COc1ccc(cc1)Cn1c(nc2c(c1=O)c(=O)c1c(s2)cccc1)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 C25H17N3O5S MW 471.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17N3O5S/c1-33-18-12-6-15(7-13-18)14-27-23(16-8-10-17(11-9-16)28(31)32)26-24-21(25(27)30)22(29)19-4-2-3-5-20(19)34-24/h2-13H,14H2,1H3InChIKey
YJNXEIQLVDYMII-UHFFFAOYSA-NSynonyms
879456-72-13((4METHOXYPHENYL)METHYL)2(4NITROPHENYL)THIOCHROMENO(23D)PYRIMIDINE45DIONE
3(4methoxybenzyl)2(4nitrophenyl)3Hthiochromeno(23d)pyrimidine45dione
3(4methoxybenzyl)2(4nitrophenyl)4Hthiochromeno(23d)pyrimidine45(3H)dione
879456721
COC1=CC=C(C=C1)CN2C(=NC3=C(C2=O)C(=O)C4=CC=CC=C4S3)C5=CC=C(C=C5)(N+)(=O)(O)
COc1ccc(cc1)Cn1c(nc2c(c1=O)c(=O)c1c(s2)cccc1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC25H17N3O5Sc1331812615(71318)142723(1681017(11916)28(31)32)262421(25(27)30)22(29)19423520(19)3424h213H14H21H3
MFCD06611080
ZINC000002352623
ZINC02352623
ZINC2352623
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