Vitas-M small molecule compound

2-[(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide

Catalog ID
STK010357
SMILES COc1cc(ccc1OC)NC(=O)CSc1nc(CSc2ccc(cc2)Cl)cc(=O)[nH]1

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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 C21H20ClN3O4S2 MW 477.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN3O4S2/c1-28-17-8-5-14(9-18(17)29-2)23-20(27)12-31-21-24-15(10-19(26)25-21)11-30-16-6-3-13(22)4-7-16/h3-10H,11-12H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKey
KHNCOKFJLMEYNO-UHFFFAOYSA-N
Synonyms

2((4(((4CHLOROPHENYL)SULFANYL)METHYL)6HYDROXYPYRIMIDIN2YL)SULFANYL)N(34DIMETHOXYPHENYL)ACETAMIDE
2((4(((4CHLOROPHENYL)SULFANYL)METHYL)6OXO16DIHYDROPYRIMIDIN2YL)SULFANYL)N(34DIMETHOXYPHENYL)ACETAMIDE
2((4(((4chlorophenyl)thio)methyl)6oxo16dihydropyrimidin2yl)thio)N(34dimethoxyphenyl)acetamide
2((6((4CHLOROPHENYL)SULFANYLMETHYL)4OXO1HPYRIMIDIN2YL)SULFANYL)N(34DIMETHOXYPHENYL)ACETAMIDE
COC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2)CSC3=CC=C(C=C3)Cl)OC
COc1cc(ccc1OC)NC(=O)CSc1nc(CSc2ccc(cc2)Cl)cc(=O)(nH)1
InChI=1SC21H20ClN3O4S2c128178514(918(17)292)2320(27)1231212415(1019(26)2521)1130166313(22)4716h310H1112H212H3(H2327)(H242526)
MFCD01959910
N(34DIMETHOXYPHENYL)2(6((4CHLOROPHENYLTHIO)METHYL)4HYDROXYPYRIMIDIN2YLTHIO)ACETAMIDE
STK010357
ZINC000009482098
ZINC9482098

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Available files

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