Vitas-M small molecule compound
(5Z)-5-[(2,5-dimethyl-1-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1H-pyrrol-3-yl)methylidene]-1-(furan-2-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK364829
SMILES O=C1NC(=O)N(C(=O)/C/1=C\c1cc(n(c1C)c1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-])C)Cc1ccco1
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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 C28H22N4O6S MW 542.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N4O6S/c1-17-14-19(15-25-26(33)29-28(35)30(27(25)34)16-22-4-3-13-38-22)18(2)31(17)20-5-9-23(10-6-20)39-24-11-7-21(8-12-24)32(36)37/h3-15H,16H2,1-2H3,(H,29,33,35)/b25-15-InChIKey
QFTDIZPYNIANIP-MYYYXRDXSA-NSynonyms
(5Z)5((25DIMETHYL1(4((4NITROPHENYL)SULFANYL)PHENYL)1HPYRROL3YL)METHYLIDENE)1(FURAN2YLMETHYL)PYRIMIDINE246(1H3H5H)TRIONE
(5Z)5((25DIMETHYL1(4(4NITROPHENYL)SULFANYLPHENYL)PYRROL3YL)METHYLIDENE)1(FURAN2YLMETHYL)13DIAZINANE246TRIONE
CC1=CC(=C(N1C2=CC=C(C=C2)SC3=CC=C(C=C3)(N+)(=O)(O))C)C=C4C(=O)NC(=O)N(C4=O)CC5=CC=CO5
InChI=1SC28H22N4O6Sc1171419(152526(33)2928(35)30(27(25)34)162243133822)18(2)31(17)205923(10620)392411721(81224)32(36)37h315H16H212H3(H293335)b2515
MFCD02196074
O=C1NC(=O)N(C(=O)C1=Cc1cc(n(c1C)c1ccc(cc1)Sc1ccc(cc1)(N+)(=O)(O))C)Cc1ccco1
ZINC000100115208
ZINC100115208
Check stock
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Check stock on Vitas-MAvailable files
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