Vitas-M small molecule compound
methyl (3-{(E)-[1-(4-chlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)acetate
Catalog ID
STK188217
SMILES COC(=O)Cn1cc(c2c1cccc2)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(cc1)Cl
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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 C22H16ClN3O4S MW 453.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClN3O4S/c1-30-19(27)12-25-11-13(16-4-2-3-5-18(16)25)10-17-20(28)24-22(31)26(21(17)29)15-8-6-14(23)7-9-15/h2-11H,12H2,1H3,(H,24,28,31)/b17-10+InChIKey
GRCQCTYYVWXQJH-LICLKQGHSA-NSynonyms
(Z)methyl2(3((1(4chlorophenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hindol1yl)acetate
COC(=O)CN1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Cl
COC(=O)Cn1cc(c2c1cccc2)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)Cl
InChI=1SC22H16ClN3O4Sc13019(27)12251113(16423518(16)25)101720(28)2422(31)26(21(17)29)158614(23)7915h211H12H21H3(H242831)b1710+
METHYL(3((E)(1(4CHLOROPHENYL)46DIOXO2SULFANYL16DIHYDROPYRIMIDIN5(4H)YLIDENE)METHYL)1HINDOL1YL)ACETATE
METHYL(3((E)(1(4CHLOROPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HINDOL1YL)ACETATE
METHYL2(3((E)(1(4CHLOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)INDOL1YL)ACETATE
MFCD02218322
ZINC2268858
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.