Vitas-M small molecule compound
5-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxyphenyl 4-(acetylamino)benzenesulfonate
Catalog ID
STL382982
SMILES COc1ccc(cc1OS(=O)(=O)c1ccc(cc1)NC(=O)C)C=C1C(=O)NC(=S)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 C20H17N3O7S2 MW 475.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O7S2/c1-11(24)21-13-4-6-14(7-5-13)32(27,28)30-17-10-12(3-8-16(17)29-2)9-15-18(25)22-20(31)23-19(15)26/h3-10H,1-2H3,(H,21,24)(H2,22,23,25,26,31)InChIKey
AJSPMDUXBMDDLM-UHFFFAOYSA-NSynonyms
431917-01-0(5((46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENYL)4ACETAMIDOBENZENESULFONATE
431917010
5((46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)2METHOXYPHENYL4(ACETYLAMINO)BENZENESULFONATE
5((46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)2methoxyphenyl4(acetylamino)benzenesulfonate
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)C=C3C(=O)NC(=S)NC3=O)OC
InChI=1SC20H17N3O7S2c111(24)21134614(7513)32(2728)30171012(3816(17)292)91518(25)2220(31)2319(15)26h310H12H3(H2124)(H22223252631)
MFCD02611592
ZINC000002805988
ZINC02805988
ZINC2805988
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