Vitas-M small molecule compound
(5Z)-5-(4,5-dimethoxy-2-nitrobenzylidene)-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK197529
SMILES COc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2cc(OC)c(cc2[N+](=O)[O-])OC)/C1=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 C20H17N3O7S MW 443.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O7S/c1-28-13-6-4-12(5-7-13)22-19(25)14(18(24)21-20(22)31)8-11-9-16(29-2)17(30-3)10-15(11)23(26)27/h4-10H,1-3H3,(H,21,24,31)/b14-8-InChIKey
XGRLDBVVCZMNSH-ZSOIEALJSA-NSynonyms
(5Z)5((45dimethoxy2nitrophenyl)methylidene)1(4methoxyphenyl)2sulfanylidene13diazinane46dione
(5Z)5(45DIMETHOXY2NITROBENZYLIDENE)1(4METHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3(N+)(=O)(O))OC)OC)C(=O)NC2=S
COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(OC)c(cc2(N+)(=O)(O))OC)C1=O
InChI=1SC20H17N3O7Sc128136412(5713)2219(25)14(18(24)2120(22)31)811916(292)17(303)1015(11)23(26)27h410H13H3(H212431)b148
MFCD02623722
ZINC000009934517
ZINC09934517
ZINC9934517
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