Vitas-M small molecule compound
2-{2-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}-N-(4-methylphenyl)acetamide
Catalog ID
STK100982
SMILES O=C(Nc1ccc(cc1)C)COc1ccccc1C=C1C(=O)N(C)C(=S)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 C22H21N3O4S MW 423.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O4S/c1-14-8-10-16(11-9-14)23-19(26)13-29-18-7-5-4-6-15(18)12-17-20(27)24(2)22(30)25(3)21(17)28/h4-12H,13H2,1-3H3,(H,23,26)InChIKey
JVPJDUBEOUOBOK-UHFFFAOYSA-NSynonyms
2(2((13dimethyl46dioxo2sulfanylidene13diazinan5ylidene)methyl)phenoxy)N(4methylphenyl)acetamide
2(2((13DIMETHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)N(4METHYLPHENYL)ACETAMIDE
CC1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2C=C3C(=O)N(C(=S)N(C3=O)C)C
InChI=1SC22H21N3O4Sc11481016(11914)2319(26)132918754615(18)121720(27)24(2)22(30)25(3)21(17)28h412H13H213H3(H2326)
MFCD03065409
ZINC000009263231
ZINC09263231
ZINC9263231
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