Vitas-M small molecule compound
(5Z)-1-(3,4-dimethylphenyl)-5-{[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene}-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK676166
SMILES COc1ccc(cc1c1ccc(o1)/C=C\1/C(=O)N(c2ccccc2)C(=S)N(C1=O)c1ccc(c(c1)C)C)[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 C30H23N3O6S MW 553.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23N3O6S/c1-18-9-10-21(15-19(18)2)32-29(35)25(28(34)31(30(32)40)20-7-5-4-6-8-20)17-23-12-14-27(39-23)24-16-22(33(36)37)11-13-26(24)38-3/h4-17H,1-3H3/b25-17-InChIKey
AHYCUBLVTWDVCG-UQQQWYQISA-NSynonyms
(5Z)1(34DIMETHYLPHENYL)5((5(2METHOXY5NITROPHENYL)FURAN2YL)METHYLIDENE)3PHENYL2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)1(34dimethylphenyl)5((5(2methoxy5nitrophenyl)furan2yl)methylidene)3phenyl2thioxodihydropyrimidine46(1H5H)dione
1(34DIMETHYLPHENYL)5((5(5NITRO2METHOXYPHENYL)2FURYL)METHYLENE)3PHENYL2THIOXODIHYDRO46(1H5H)PYRIMIDINEDIONE
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=C(C=CC(=C4)(N+)(=O)(O))OC)C(=O)N(C2=S)C5=CC=CC=C5)C
COc1ccc(cc1c1ccc(o1)C=C1C(=O)N(c2ccccc2)C(=S)N(C1=O)c1ccc(c(c1)C)C)(N+)(=O)(O)
InChI=1SC30H23N3O6Sc11891021(1519(18)2)3229(35)25(28(34)31(30(32)40)207546820)1723121427(3923)241622(33(36)37)111326(24)383h417H13H3b2517
MFCD01872590
ZINC000008426681
ZINC08426681
ZINC8426681
Check stock
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Check stock on Vitas-MAvailable files
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