Vitas-M small molecule compound
(2,6-dichloro-4-{(Z)-[6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(3,4,5-trimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}phenoxy)acetic acid
Catalog ID
STL164260
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cc(OC)c(c(c1)OC)OC)c(=O)/c(=C/c1cc(Cl)c(c(c1)Cl)OCC(=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 C28H26Cl2N2O9S MW 637.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26Cl2N2O9S/c1-6-40-27(36)22-13(2)31-28-32(23(22)15-10-18(37-3)25(39-5)19(11-15)38-4)26(35)20(42-28)9-14-7-16(29)24(17(30)8-14)41-12-21(33)34/h7-11,23H,6,12H2,1-5H3,(H,33,34)/b20-9-InChIKey
RAZOAMCZKZXOAB-UKWGHVSLSA-NSynonyms
(26DICHLORO4((6(ETHOXYCARBONYL)7METHYL3OXO5(345TRIMETHOXYPHENYL)5H(13)THIAZOLO(32A)PYRIMIDIN2(3H)YLIDENE)METHYL)PHENOXY)ACETICACID
(26dichloro4((Z)(6(ethoxycarbonyl)7methyl3oxo5(345trimethoxyphenyl)5H(13)thiazolo(32a)pyrimidin2(3H)ylidene)methyl)phenoxy)aceticacid
2(26DICHLORO4((Z)(6ETHOXYCARBONYL7METHYL3OXO5(345TRIMETHOXYPHENYL)5H(13)THIAZOLO(32A)PYRIMIDIN2YLIDENE)METHYL)PHENOXY)ACETICACID
CCOC(=O)C1=C(C)N=c2n(C1c1cc(OC)c(c(c1)OC)OC)c(=O)c(=Cc1cc(Cl)c(c(c1)Cl)OCC(=O)O)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C(=C3)OC)OC)OC)C(=O)C(=CC4=CC(=C(C(=C4)Cl)OCC(=O)O)Cl)S2)C
InChI=1SC28H26Cl2N2O9Sc164027(36)2213(2)312832(23(22)151018(373)25(395)19(1115)384)26(35)20(4228)914716(29)24(17(30)814)411221(33)34h71123H612H215H3(H3334)b209
MFCD02374359
ZINC000008451475
ZINC000008451477
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