Vitas-M small molecule compound
(5E)-5-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-1-(2-methoxyphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK561012
SMILES COc1ccccc1N1C(=NC(=O)/C(=C\NCCc2c[nH]c3c2cccc3)/C1=O)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 C22H20N4O3S MW 420.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O3S/c1-29-19-9-5-4-8-18(19)26-21(28)16(20(27)25-22(26)30)13-23-11-10-14-12-24-17-7-3-2-6-15(14)17/h2-9,12-13,23-24H,10-11H2,1H3,(H,25,27,30)/b16-13+InChIKey
AFOMGVIMJHBDCY-DTQAZKPQSA-NSynonyms
(5E)5(((2(1Hindol3yl)ethyl)amino)methylidene)1(2methoxyphenyl)2sulfanylpyrimidine46(1H5H)dione
(5E)5((2(1HINDOL3YL)ETHYLAMINO)METHYLIDENE)1(2METHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
COC1=CC=CC=C1N2C(=O)C(=CNCCC3=CNC4=CC=CC=C43)C(=O)NC2=S
COc1ccccc1N1C(=NC(=O)C(=CNCCc2c(nH)c3c2cccc3)C1=O)S
InChI=1SC22H20N4O3Sc12919954818(19)2621(28)16(20(27)2522(26)30)1323111014122417732615(14)17h2912132324H1011H21H3(H252730)b1613+
MFCD04075525
ZINC000001842068
ZINC01842068
ZINC1842068
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