Vitas-M small molecule compound
4-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxyphenyl benzenesulfonate
Catalog ID
STK036656
SMILES COc1cc(ccc1OS(=O)(=O)c1ccccc1)C=C1C(=O)N(C)C(=O)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 C20H18N2O7S MW 430.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O7S/c1-21-18(23)15(19(24)22(2)20(21)25)11-13-9-10-16(17(12-13)28-3)29-30(26,27)14-7-5-4-6-8-14/h4-12H,1-3H3InChIKey
KSYWUBKCZRMKLU-UHFFFAOYSA-NSynonyms
(4((13DIMETHYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENYL)BENZENESULFONATE
4((13DIMETHYL246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2METHOXYPHENYLBENZENESULFONATE
CN1C(=O)C(=CC2=CC(=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)OC)C(=O)N(C1=O)C
COc1cc(ccc1OS(=O)(=O)c1ccccc1)C=C1C(=O)N(C)C(=O)N(C1=O)C
InChI=1SC20H18N2O7Sc12118(23)15(19(24)22(2)20(21)25)111391016(17(1213)283)2930(2627)147546814h412H13H3
MFCD01873532
STK036656
ZINC000008843093
ZINC08843093
ZINC8843093
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