Vitas-M small molecule compound
2-methoxy-5-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenyl 4-(acetylamino)benzenesulfonate
Catalog ID
STL382990
SMILES COc1ccc(cc1OS(=O)(=O)c1ccc(cc1)NC(=O)C)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 C20H17N3O8S MW 459.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O8S/c1-11(24)21-13-4-6-14(7-5-13)32(28,29)31-17-10-12(3-8-16(17)30-2)9-15-18(25)22-20(27)23-19(15)26/h3-10H,1-2H3,(H,21,24)(H2,22,23,25,26,27)InChIKey
XJTQGWJRUFWMHZ-UHFFFAOYSA-NSynonyms
827585-58-0(2METHOXY5((246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENYL)4ACETAMIDOBENZENESULFONATE
2methoxy5((246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenyl4(acetylamino)benzenesulfonate
827585580
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)C=C3C(=O)NC(=O)NC3=O)OC
InChI=1SC20H17N3O8Sc111(24)21134614(7513)32(2829)31171012(3816(17)302)91518(25)2220(27)2319(15)26h310H12H3(H2124)(H22223252627)
MFCD03217470
ZINC000002785392
ZINC02785392
ZINC2785392
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