Vitas-M small molecule compound
3-(3-{(E)-[6-(ethoxycarbonyl)-5-(2-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STK025135
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1OC)c(=O)/c(=C\c1cc(n(c1C)c1cccc(c1)C(=O)O)C)/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 C31H29N3O6S MW 571.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O6S/c1-6-40-30(38)26-18(3)32-31-34(27(26)23-12-7-8-13-24(23)39-5)28(35)25(41-31)16-21-14-17(2)33(19(21)4)22-11-9-10-20(15-22)29(36)37/h7-16,27H,6H2,1-5H3,(H,36,37)/b25-16+InChIKey
VXGGCCBFYKUIBR-PCLIKHOPSA-NSynonyms
3(3((E)(6(ETHOXYCARBONYL)5(2METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDIN2(3H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOICACID
3(3((E)(6ethoxycarbonyl5(2methoxyphenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidin2ylidene)methyl)25dimethylpyrrol1yl)benzoicacid
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1OC)c(=O)c(=Cc1cc(n(c1C)c1cccc(c1)C(=O)O)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3OC)C(=O)C(=CC4=C(N(C(=C4)C)C5=CC=CC(=C5)C(=O)O)C)S2)C
InChI=1SC31H29N3O6Sc164030(38)2618(3)323134(27(26)2312781324(23)395)28(35)25(4131)16211417(2)33(19(21)4)221191020(1522)29(36)37h71627H6H215H3(H3637)b2516+
MFCD04083701
STK025135
ZINC000097958086
ZINC000097958087
Check stock
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Check stock on Vitas-MAvailable files
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