Vitas-M small molecule compound
ethyl (2Z)-2-(2-ethoxybenzylidene)-7-methyl-5-(naphthalen-1-yl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK264023
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cccc3c1cccc3)c(=O)/c(=C/c1ccccc1OCC)/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 C29H26N2O4S MW 498.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O4S/c1-4-34-23-16-9-7-12-20(23)17-24-27(32)31-26(22-15-10-13-19-11-6-8-14-21(19)22)25(28(33)35-5-2)18(3)30-29(31)36-24/h6-17,26H,4-5H2,1-3H3/b24-17-InChIKey
XOLRCMRFMHDHRC-ULJHMMPZSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1cccc3c1cccc3)c(=O)c(=Cc1ccccc1OCC)s2
CCOC1=CC=CC=C1C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC=CC5=CC=CC=C54
ETHYL(2Z)2((2ETHOXYPHENYL)METHYLIDENE)7METHYL5NAPHTHALEN1YL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)2(2ETHOXYBENZYLIDENE)7METHYL5(NAPHTHALEN1YL)3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC29H26N2O4Sc14342316971220(23)172427(32)3126(221510131911681421(19)22)25(28(33)3552)18(3)3029(31)3624h61726H45H213H3b2417
MFCD06668789
ZINC000009489302
ZINC000009489303
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