Vitas-M small molecule compound

ethyl 3-{(E)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-indole-2-carboxylate

Catalog ID
STK560332
SMILES CCOC(=O)c1[nH]c2c(c1/C=C/1\C(=O)N=C(N(C1=O)c1ccccc1F)S)cccc2

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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 C22H16FN3O4S MW 437.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16FN3O4S/c1-2-30-21(29)18-13(12-7-3-5-9-16(12)24-18)11-14-19(27)25-22(31)26(20(14)28)17-10-6-4-8-15(17)23/h3-11,24H,2H2,1H3,(H,25,27,31)/b14-11+
InChIKey
HVYBTMRKXBNOHG-SDNWHVSQSA-N
Synonyms

CCOC(=O)c1(nH)c2c(c1C=C1C(=O)N=C(N(C1=O)c1ccccc1F)S)cccc2
CCOC(=O)C1=C(C2=CC=CC=C2N1)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4F
ethyl3((E)(1(2fluorophenyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)1Hindole2carboxylate
ETHYL3((E)(1(2FLUOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)1HINDOLE2CARBOXYLATE
InChI=1SC22H16FN3O4Sc123021(29)1813(12735916(12)2418)111419(27)2522(31)26(20(14)28)171064815(17)23h31124H2H21H3(H252731)b1411+
MFCD03806126
ZINC000013773870
ZINC13773870

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.