Vitas-M small molecule compound

4-(5-{(Z)-[6-(ethoxycarbonyl)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid

Catalog ID
STK032074
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C/c1ccc(o1)c1ccc(cc1)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 C29H24N2O7S MW 544.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O7S/c1-4-37-28(35)24-16(2)30-29-31(25(24)18-9-11-20(36-3)12-10-18)26(32)23(39-29)15-21-13-14-22(38-21)17-5-7-19(8-6-17)27(33)34/h5-15,25H,4H2,1-3H3,(H,33,34)/b23-15-
InChIKey
MWOVKSYSAJGBLZ-HAHDFKILSA-N
Synonyms

(E)4(5((6(ethoxycarbonyl)5(4methoxyphenyl)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidin2ylidene)methyl)furan2yl)benzoicacid
4(5((Z)(6(ETHOXYCARBONYL)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDIN2(3H)YLIDENE)METHYL)FURAN2YL)BENZOICACID
4(5((Z)(6ETHOXYCARBONYL5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDIN2YLIDENE)METHYL)FURAN2YL)BENZOICACID
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1ccc(o1)c1ccc(cc1)C(=O)O)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC)C(=O)C(=CC4=CC=C(O4)C5=CC=C(C=C5)C(=O)O)S2)C
InChI=1SC29H24N2O7Sc143728(35)2416(2)302931(25(24)1891120(363)121018)26(32)23(3929)1521131422(3821)175719(8617)27(33)34h51525H4H213H3(H3334)b2315
MFCD01455337
STK032074
ZINC000100533236
ZINC000100533238

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Available files

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