Vitas-M small molecule compound
(5E)-5-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-(2-methoxyethyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL372580
SMILES COCCN1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2ccc(cc2)[N+](=O)[O-])C)/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 C20H20N4O5S MW 428.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O5S/c1-12-10-14(13(2)23(12)15-4-6-16(7-5-15)24(27)28)11-17-18(25)21-20(30)22(19(17)26)8-9-29-3/h4-7,10-11H,8-9H2,1-3H3,(H,21,25,30)/b17-11+InChIKey
ZVJUHRIRIOEVIG-GZTJUZNOSA-NSynonyms
(5E)5((25dimethyl1(4nitrophenyl)1Hpyrrol3yl)methylidene)1(2methoxyethyl)2thioxodihydropyrimidine46(1H5H)dione
(5E)5((25dimethyl1(4nitrophenyl)pyrrol3yl)methylidene)1(2methoxyethyl)2sulfanylidene13diazinane46dione
CC1=CC(=C(N1C2=CC=C(C=C2)(N+)(=O)(O))C)C=C3C(=O)NC(=S)N(C3=O)CCOC
COCCN1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)(N+)(=O)(O))C)C1=O
InChI=1SC20H20N4O5Sc1121014(13(2)23(12)154616(7515)24(27)28)111718(25)2120(30)22(19(17)26)89293h471011H89H213H3(H212530)b1711+
MFCD03924864
ZINC000098086705
ZINC98086705
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