Vitas-M small molecule compound
methyl {3-[(E)-(4,6-dioxo-1-phenyl-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]-1H-indol-1-yl}acetate
Catalog ID
STK622962
SMILES COC(=O)Cn1cc(c2c1cccc2)/C=C/1\C(=O)N=C(N(C1=O)c1ccccc1)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 C22H17N3O4S MW 419.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O4S/c1-29-19(26)13-24-12-14(16-9-5-6-10-18(16)24)11-17-20(27)23-22(30)25(21(17)28)15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,23,27,30)/b17-11+InChIKey
HWQNNSWVSQPUFR-GZTJUZNOSA-NSynonyms
COC(=O)Cn1cc(c2c1cccc2)C=C1C(=O)N=C(N(C1=O)c1ccccc1)S
InChI=1SC22H17N3O4Sc12919(26)13241214(169561018(16)24)111720(27)2322(30)25(21(17)28)157324815h212H13H21H3(H232730)b1711+
methyl(3((E)(46dioxo1phenyl2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)1Hindol1yl)acetate
METHYL2(3((E)(46DIOXO1PHENYL2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)INDOL1YL)ACETATE
MFCD09796752
ZINC000015769307
ZINC15769307
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