Vitas-M small molecule compound

2-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenyl 4-methylbenzenesulfonate

Catalog ID
STK078685
SMILES Cc1ccc(cc1)S(=O)(=O)Oc1ccccc1C=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 C20H18N2O6S MW 414.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O6S/c1-13-8-10-15(11-9-13)29(26,27)28-17-7-5-4-6-14(17)12-16-18(23)21(2)20(25)22(3)19(16)24/h4-12H,1-3H3
InChIKey
GLVAIKAHDLWBCH-UHFFFAOYSA-N
Synonyms

(2((13DIMETHYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENYL)4METHYLBENZENESULFONATE
2((13DIMETHYL246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENYL4METHYLBENZENESULFONATE
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C=C3C(=O)N(C(=O)N(C3=O)C)C
Cc1ccc(cc1)S(=O)(=O)Oc1ccccc1C=C1C(=O)N(C)C(=O)N(C1=O)C
InChI=1SC20H18N2O6Sc11381015(11913)29(2627)2817754614(17)121618(23)21(2)20(25)22(3)19(16)24h412H13H3
MFCD02017744
STK078685
ZINC000002947669
ZINC02947669
ZINC2947669

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Available files

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