Vitas-M small molecule compound
ethyl (2Z)-2-[(1-benzyl-2-methyl-1H-indol-3-yl)methylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK029854
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C/c1c(C)n(c3c1cccc3)Cc1ccccc1)/s2
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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 C31H27N3O3S2 MW 553.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N3O3S2/c1-4-37-30(36)27-19(2)32-31-34(28(27)25-15-10-16-38-25)29(35)26(39-31)17-23-20(3)33(18-21-11-6-5-7-12-21)24-14-9-8-13-22(23)24/h5-17,28H,4,18H2,1-3H3/b26-17-InChIKey
UJAXUIKBYHGAGH-ONUIUJJFSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1c(C)n(c3c1cccc3)Cc1ccccc1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)C(=CC4=C(N(C5=CC=CC=C54)CC6=CC=CC=C6)C)S2)C
ETHYL(2Z)2((1BENZYL2METHYL1HINDOL3YL)METHYLIDENE)7METHYL3OXO5(THIOPHEN2YL)23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)2((1BENZYL2METHYLINDOL3YL)METHYLIDENE)7METHYL3OXO5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC31H27N3O3S2c143730(36)2719(2)323134(28(27)251510163825)29(35)26(3931)172320(3)33(1821116571221)2414981322(23)24h51728H418H213H3b2617
MFCD03033777
STK029854
ZINC000097958141
ZINC000097958142
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