Vitas-M small molecule compound
3-(5-{(Z)-[5-(3-bromo-4-methoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STL164252
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)Br)OC)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 C29H23BrN2O7S MW 623.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23BrN2O7S/c1-4-38-28(36)24-15(2)31-29-32(25(24)17-8-10-22(37-3)20(30)13-17)26(33)23(40-29)14-19-9-11-21(39-19)16-6-5-7-18(12-16)27(34)35/h5-14,25H,4H2,1-3H3,(H,34,35)/b23-14-InChIKey
LXIIROFESMFXMS-UCQKPKSFSA-NSynonyms
3(5((Z)(5(3bromo4methoxyphenyl)6(ethoxycarbonyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidin2(3H)ylidene)methyl)furan2yl)benzoicacid
3(5((Z)(5(3BROMO4METHOXYPHENYL)6ETHOXYCARBONYL7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDIN2YLIDENE)METHYL)FURAN2YL)BENZOICACID
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)Br)OC)c(=O)c(=Cc1ccc(o1)c1cccc(c1)C(=O)O)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC)Br)C(=O)C(=CC4=CC=C(O4)C5=CC(=CC=C5)C(=O)O)S2)C
InChI=1SC29H23BrN2O7Sc143828(36)2415(2)312932(25(24)1781022(373)20(30)1317)26(33)23(4029)141991121(3919)1665718(1216)27(34)35h51425H4H213H3(H3435)b2314
MFCD05037463
ZINC000150346780
ZINC000150346782
Check stock
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Check stock on Vitas-MAvailable files
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