Vitas-M small molecule compound
(5E)-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK189942
SMILES C=CCN1C(=S)NC(=O)/C(=C\c2ccc(o2)c2cccc(c2)[N+](=O)[O-])/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 C18H13N3O5S MW 383.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N3O5S/c1-2-8-20-17(23)14(16(22)19-18(20)27)10-13-6-7-15(26-13)11-4-3-5-12(9-11)21(24)25/h2-7,9-10H,1,8H2,(H,19,22,27)/b14-10+InChIKey
SYJUXUWPOOWHCN-GXDHUFHOSA-NSynonyms
(5E)5((5(3NITROPHENYL)FURAN2YL)METHYLIDENE)1(PROP2EN1YL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((5(3NITROPHENYL)FURAN2YL)METHYLIDENE)1PROP2ENYL2SULFANYLIDENE13DIAZINANE46DIONE
C=CCN1C(=O)C(=CC2=CC=C(O2)C3=CC(=CC=C3)(N+)(=O)(O))C(=O)NC1=S
C=CCN1C(=S)NC(=O)C(=Cc2ccc(o2)c2cccc(c2)(N+)(=O)(O))C1=O
InChI=1SC18H13N3O5Sc1282017(23)14(16(22)1918(20)27)10136715(2613)1143512(911)21(24)25h27910H18H2(H192227)b1410+
MFCD02194417
ZINC000001201205
ZINC1201205
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