Vitas-M small molecule compound
[1-({[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}methyl)cyclohexyl]acetic acid
Catalog ID
STK604359
SMILES CN1C(=S)N(C)C(=O)C(=CNCC2(CCCCC2)CC(=O)O)C1=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 C16H23N3O4S MW 353.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H23N3O4S/c1-18-13(22)11(14(23)19(2)15(18)24)9-17-10-16(8-12(20)21)6-4-3-5-7-16/h9,17H,3-8,10H2,1-2H3,(H,20,21)InChIKey
QRRWLRCNPSRHDA-UHFFFAOYSA-NSynonyms
(1((((13dimethyl46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)methyl)cyclohexyl)aceticacid
2(1((((13dimethyl46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)methyl)cyclohexyl)aceticacid
2(1(((13dimethyl46dioxo2sulfanylidene13diazinan5ylidene)methylamino)methyl)cyclohexyl)aceticacid
CN1C(=O)C(=CNCC2(CCCCC2)CC(=O)O)C(=O)N(C1=S)C
InChI=1SC16H23N3O4Sc11813(22)11(14(23)19(2)15(18)24)9171016(812(20)21)6435716h917H3810H212H3(H2021)
MFCD08745777
ZINC000020621829
ZINC20621829
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