Vitas-M small molecule compound
4-(5-{(Z)-[6-(ethoxycarbonyl)-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid
Catalog ID
STL181371
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C/c1ccc(o1)c1ccc(cc1C)C(=O)O)/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 C29H24N2O6S MW 528.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O6S/c1-4-36-28(35)24-17(3)30-29-31(25(24)18-8-6-5-7-9-18)26(32)23(38-29)15-20-11-13-22(37-20)21-12-10-19(27(33)34)14-16(21)2/h5-15,25H,4H2,1-3H3,(H,33,34)/b23-15-InChIKey
RLFLAZGVIZGXEV-HAHDFKILSA-NSynonyms
4(5((6(ETHOXYCARBONYL)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDIN2(3H)YLIDENE)METHYL)2FURYL)3METHYLBENZOICACID
4(5((Z)(6(ethoxycarbonyl)7methyl3oxo5phenyl5H(13)thiazolo(32a)pyrimidin2(3H)ylidene)methyl)furan2yl)3methylbenzoicacid
4(5((Z)(6ETHOXYCARBONYL7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDIN2YLIDENE)METHYL)FURAN2YL)3METHYLBENZOICACID
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1ccc(o1)c1ccc(cc1C)C(=O)O)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(=CC4=CC=C(O4)C5=C(C=C(C=C5)C(=O)O)C)S2)C
InChI=1SC29H24N2O6Sc143628(35)2417(3)302931(25(24)188657918)26(32)23(3829)1520111322(3720)21121019(27(33)34)1416(21)2h51525H4H213H3(H3334)b2315
MFCD02374085
ZINC000002049504
ZINC000002049506
Check stock
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Check stock on Vitas-MAvailable files
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