Vitas-M small molecule compound
2-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenyl 4-methylbenzenesulfonate
Catalog ID
STK051310
SMILES S=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 C18H14N2O5S2 MW 402.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N2O5S2/c1-11-6-8-13(9-7-11)27(23,24)25-15-5-3-2-4-12(15)10-14-16(21)19-18(26)20-17(14)22/h2-10H,1H3,(H2,19,20,21,22,26)InChIKey
QVEKUVNVBYRXEL-UHFFFAOYSA-NSynonyms
(2((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PHENYL)4METHYLBENZENESULFONATE
2((46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENYL4METHYLBENZENESULFONATE
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C=C3C(=O)NC(=S)NC3=O
InChI=1SC18H14N2O5S2c1116813(9711)27(2324)2515532412(15)101416(21)1918(26)2017(14)22h210H1H3(H21920212226)
MFCD02017748
S=C1NC(=O)C(=Cc2ccccc2OS(=O)(=O)c2ccc(cc2)C)C(=O)N1
STK051310
ZINC000005929794
ZINC05929794
ZINC5929794
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