Vitas-M small molecule compound
1,3-dimethyl-5-nitro-6-[(E)-2-(thiophen-2-yl)ethenyl]pyrimidine-2,4(1H,3H)-dione
Catalog ID
STK057769
SMILES O=c1n(C)c(/C=C/c2cccs2)c(c(=O)n1C)[N+](=O)[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 C12H11N3O4S MW 293.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11N3O4S/c1-13-9(6-5-8-4-3-7-20-8)10(15(18)19)11(16)14(2)12(13)17/h3-7H,1-2H3/b6-5+InChIKey
QUGSBXRCIFAORV-AATRIKPKSA-NSynonyms
13DIMETHYL5NITRO6((E)2(THIOPHEN2YL)ETHENYL)PYRIMIDINE24(1H3H)DIONE
13DIMETHYL5NITRO6((E)2THIOPHEN2YLETHENYL)PYRIMIDINE24DIONE
13DIMETHYL5NITRO6(2THIOPHEN2YLVINYL)1HPYRIMIDINE24DIONE
CN1C(=C(C(=O)N(C1=O)C)(N+)(=O)(O))C=CC2=CC=CS2
InChI=1SC12H11N3O4Sc1139(658437208)10(15(18)19)11(16)14(2)12(13)17h37H12H3b65+
MFCD02922637
O=c1n(C)c(C=Cc2cccs2)c(c(=O)n1C)(N+)(=O)(O)
STK057769
ZINC000030702604
ZINC30702604
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