Vitas-M small molecule compound
ethyl (2E)-2-(1H-indol-3-ylmethylidene)-5-(4-methoxynaphthalen-1-yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK759541
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c3c1cccc3)OC)c(=O)/c(=C\c1c[nH]c3c1cccc3)/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 C30H25N3O4S MW 523.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N3O4S/c1-4-37-29(35)26-17(2)32-30-33(27(26)22-13-14-24(36-3)21-11-6-5-10-20(21)22)28(34)25(38-30)15-18-16-31-23-12-8-7-9-19(18)23/h5-16,27,31H,4H2,1-3H3/b25-15+InChIKey
HKSPVYHWSBNTNZ-MFKUBSTISA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c3c1cccc3)OC)c(=O)c(=Cc1c(nH)c3c1cccc3)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C4=CC=CC=C34)OC)C(=O)C(=CC5=CNC6=CC=CC=C65)S2)C
ethyl(2E)2(1Hindol3ylmethylidene)5(4methoxynaphthalen1yl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)2(1HINDOL3YLMETHYLIDENE)5(4METHOXYNAPHTHALEN1YL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC30H25N3O4Sc143729(35)2617(2)323033(27(26)22131424(363)2111651020(21)22)28(34)25(3830)15181631231287919(18)23h5162731H4H213H3b2515+
MFCD01461714
ZINC000012412425
ZINC000012412427
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