Vitas-M small molecule compound
2-[(2-chloro-6-nitrobenzyl)sulfanyl]pyrimidine-4,6(1H,5H)-dione
Catalog ID
STK149354
SMILES O=C1NC(=NC(=O)C1)SCc1c(Cl)cccc1[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 C11H8ClN3O4S MW 313.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H8ClN3O4S/c12-7-2-1-3-8(15(18)19)6(7)5-20-11-13-9(16)4-10(17)14-11/h1-3H,4-5H2,(H,13,14,16,17)InChIKey
LYSUNTMJVSYFCI-UHFFFAOYSA-NSynonyms
2((2CHLORO6NITROBENZYL)SULFANYL)PYRIMIDINE46(1H5H)DIONE
2((2CHLORO6NITROPHENYL)METHYLSULFANYL)1HPYRIMIDINE46DIONE
2((6CHLORO2NITROPHENYL)METHYLTHIO)35DIHYDROPYRIMIDINE46DIONE
C1C(=O)NC(=NC1=O)SCC2=C(C=CC=C2Cl)(N+)(=O)(O)
InChI=1SC11H8ClN3O4Sc1272138(15(18)19)6(7)52011139(16)410(17)1411h13H45H2(H13141617)
MFCD02615342
O=C1NC(=NC(=O)C1)SCc1c(Cl)cccc1(N+)(=O)(O)
ZINC000000314192
ZINC00314192
ZINC314192
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