Vitas-M small molecule compound
methyl N-[(E)-(1-benzyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]tryptophanate
Catalog ID
STK582502
SMILES COC(=O)C(Cc1c[nH]c2c1cccc2)N/C=C/1\C(=O)N=C(N(C1=O)Cc1ccccc1)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 C24H22N4O4S MW 462.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O4S/c1-32-23(31)20(11-16-12-25-19-10-6-5-9-17(16)19)26-13-18-21(29)27-24(33)28(22(18)30)14-15-7-3-2-4-8-15/h2-10,12-13,20,25-26H,11,14H2,1H3,(H,27,29,33)/b18-13+InChIKey
HQBXNMRXJUFSME-QGOAFFKASA-NSynonyms
COC(=O)C(CC1=CNC2=CC=CC=C21)NC=C3C(=O)NC(=S)N(C3=O)CC4=CC=CC=C4
COC(=O)C(Cc1c(nH)c2c1cccc2)NC=C1C(=O)N=C(N(C1=O)Cc1ccccc1)S
InChI=1SC24H22N4O4Sc13223(31)20(11161225191065917(16)19)26131821(29)2724(33)28(22(18)30)14157324815h2101213202526H1114H21H3(H272933)b1813+
METHYL2(((E)(1BENZYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)AMINO)3(1HINDOL3YL)PROPANOATE
methylN((E)(1benzyl46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)tryptophanate
MFCD07203594
ZINC000002366761
ZINC000002366768
ZINC000102593460
ZINC000102593465
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