Vitas-M small molecule compound
5-{[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187949
SMILES Clc1ccc(c(c1)[N+](=O)[O-])c1ccc(o1)C=C1C(=O)N(C)C(=S)N(C1=O)C
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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 C17H12ClN3O5S MW 405.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12ClN3O5S/c1-19-15(22)12(16(23)20(2)17(19)27)8-10-4-6-14(26-10)11-5-3-9(18)7-13(11)21(24)25/h3-8H,1-2H3InChIKey
VGTFDSDEPVICGU-UHFFFAOYSA-NSynonyms
420832-79-7420832797
5((5(4CHLORO2NITROPHENYL)FURAN2YL)METHYLIDENE)13DIMETHYL2SULFANYLIDENE13DIAZINANE46DIONE
5((5(4CHLORO2NITROPHENYL)FURAN2YL)METHYLIDENE)13DIMETHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
Clc1ccc(c(c1)(N+)(=O)(O))c1ccc(o1)C=C1C(=O)N(C)C(=S)N(C1=O)C
CN1C(=O)C(=CC2=CC=C(O2)C3=C(C=C(C=C3)Cl)(N+)(=O)(O))C(=O)N(C1=S)C
InChI=1SC17H12ClN3O5Sc11915(22)12(16(23)20(2)17(19)27)8104614(2610)11539(18)713(11)21(24)25h38H12H3
MFCD02609442
ZINC000001186793
ZINC01186793
ZINC1186793
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