Vitas-M small molecule compound

(4-{(E)-[7-methyl-3-oxo-6-(phenylcarbamoyl)-5-[4-(propan-2-yl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}phenoxy)acetic acid

Catalog ID
STL181395
SMILES OC(=O)COc1ccc(cc1)/C=c\1/sc2=NC(=C(C(n2c1=O)c1ccc(cc1)C(C)C)C(=O)Nc1ccccc1)C

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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 C32H29N3O5S MW 567.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29N3O5S/c1-19(2)22-11-13-23(14-12-22)29-28(30(38)34-24-7-5-4-6-8-24)20(3)33-32-35(29)31(39)26(41-32)17-21-9-15-25(16-10-21)40-18-27(36)37/h4-17,19,29H,18H2,1-3H3,(H,34,38)(H,36,37)/b26-17+
InChIKey
FJZNZSWULWWXJC-YZSQISJMSA-N
Synonyms

(4((E)(7methyl3oxo6(phenylcarbamoyl)5(4(propan2yl)phenyl)5H(13)thiazolo(32a)pyrimidin2(3H)ylidene)methyl)phenoxy)aceticacid
2(4((E)(7methyl3oxo6(phenylcarbamoyl)5(4propan2ylphenyl)5H(13)thiazolo(32a)pyrimidin2ylidene)methyl)phenoxy)aceticacid
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)OCC(=O)O)SC2=N1)C4=CC=C(C=C4)C(C)C)C(=O)NC5=CC=CC=C5
InChI=1SC32H29N3O5Sc119(2)22111323(141222)2928(30(38)34247546824)20(3)333235(29)31(39)26(4132)172191525(161021)401827(36)37h4171929H18H213H3(H3438)(H3637)b2617+
MFCD02608803
OC(=O)COc1ccc(cc1)C=c1sc2=NC(=C(C(n2c1=O)c1ccc(cc1)C(C)C)C(=O)Nc1ccccc1)C
ZINC000098045919
ZINC000098045920

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Available files

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