Vitas-M small molecule compound
3-(5-{(Z)-[6-(methoxycarbonyl)-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK246638
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C/c1ccc(o1)c1cccc(c1)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 C27H20N2O6S MW 500.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N2O6S/c1-15-22(26(33)34-2)23(16-7-4-3-5-8-16)29-24(30)21(36-27(29)28-15)14-19-11-12-20(35-19)17-9-6-10-18(13-17)25(31)32/h3-14,23H,1-2H3,(H,31,32)/b21-14-InChIKey
WRJSDDSEQDOGOY-STZFKDTASA-NSynonyms
3(5((Z)(6(METHOXYCARBONYL)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDIN2(3H)YLIDENE)METHYL)FURAN2YL)BENZOICACID
3(5((Z)(6METHOXYCARBONYL7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDIN2YLIDENE)METHYL)FURAN2YL)BENZOICACID
CC1=C(C(N2C(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)SC2=N1)C5=CC=CC=C5)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1ccc(o1)c1cccc(c1)C(=O)O)s2
InChI=1SC27H20N2O6Sc11522(26(33)342)23(167435816)2924(30)21(3627(29)2815)1419111220(3519)17961018(1317)25(31)32h31423H12H3(H3132)b2114
MFCD02268567
ZINC000009295445
ZINC000009295446
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