Vitas-M small molecule compound
methyl 3-{[(E)-{1-[2-(cyclohex-1-en-1-yl)ethyl]-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene}methyl]amino}benzoate
Catalog ID
STL049052
SMILES COC(=O)c1cccc(c1)N/C=C/1\C(=O)N=C(N(C1=O)CCC1=CCCCC1)S
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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 C21H23N3O4S MW 413.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4S/c1-28-20(27)15-8-5-9-16(12-15)22-13-17-18(25)23-21(29)24(19(17)26)11-10-14-6-3-2-4-7-14/h5-6,8-9,12-13,22H,2-4,7,10-11H2,1H3,(H,23,25,29)/b17-13+InChIKey
ORLYOXCYQPJNOG-GHRIWEEISA-NSynonyms
COC(=O)C1=CC(=CC=C1)NC=C2C(=O)NC(=S)N(C2=O)CCC3=CCCCC3
COC(=O)c1cccc(c1)NC=C1C(=O)N=C(N(C1=O)CCC1=CCCCC1)S
InChI=1SC21H23N3O4Sc12820(27)1585916(1215)22131718(25)2321(29)24(19(17)26)1110146324714h5689121322H2471011H21H3(H232529)b1713+
methyl3(((E)(1(2(cyclohex1en1yl)ethyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)amino)benzoate
METHYL3(((E)(1(2(CYCLOHEXEN1YL)ETHYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)AMINO)BENZOATE
MFCD05729416
ZINC000005489597
ZINC05489597
ZINC5489597
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