Vitas-M small molecule compound

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

Catalog ID
STK006631
SMILES O=C1NC(=O)C(=Cc2ccccc2OS(=O)(=O)c2ccc(cc2)C)C(=O)N1

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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 C18H14N2O6S MW 386.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N2O6S/c1-11-6-8-13(9-7-11)27(24,25)26-15-5-3-2-4-12(15)10-14-16(21)19-18(23)20-17(14)22/h2-10H,1H3,(H2,19,20,21,22,23)
InChIKey
NWPHSLFBUCMZSR-UHFFFAOYSA-N
Synonyms

(2((246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENYL)4METHYLBENZENESULFONATE
2((246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENYL4METHYLBENZENESULFONATE
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C=C3C(=O)NC(=O)NC3=O
InChI=1SC18H14N2O6Sc1116813(9711)27(2425)2615532412(15)101416(21)1918(23)2017(14)22h210H1H3(H21920212223)
MFCD02017737
O=C1NC(=O)C(=Cc2ccccc2OS(=O)(=O)c2ccc(cc2)C)C(=O)N1
STK006631
ZINC000002946951
ZINC02946951
ZINC2946951

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Available files

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