Vitas-M small molecule compound
3-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenyl 4-methoxybenzenesulfonate
Catalog ID
STL383450
SMILES COc1ccc(cc1)S(=O)(=O)Oc1cccc(c1)C=C1C(=O)NC(=O)NC1=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 C18H14N2O7S MW 402.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N2O7S/c1-26-12-5-7-14(8-6-12)28(24,25)27-13-4-2-3-11(9-13)10-15-16(21)19-18(23)20-17(15)22/h2-10H,1H3,(H2,19,20,21,22,23)InChIKey
DSHNMBLSUQRKEV-UHFFFAOYSA-NSynonyms
347312-88-3(3((246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENYL)4METHOXYBENZENESULFONATE
3((246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenyl4methoxybenzenesulfonate
347312883
COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C=C3C(=O)NC(=O)NC3=O
InChI=1SC18H14N2O7Sc126125714(8612)28(2425)271342311(913)101516(21)1918(23)2017(15)22h210H1H3(H21920212223)
MFCD03137226
ZINC000002807032
ZINC02807032
ZINC2807032
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