Vitas-M small molecule compound
4-{(Z)-[5-(4-methoxyphenyl)-7-methyl-3-oxo-6-(phenylcarbamoyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}benzoic acid
Catalog ID
STK111411
SMILES COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C/c1ccc(cc1)C(=O)O)/s2)C(=O)Nc1ccccc1
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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 C29H23N3O5S MW 525.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N3O5S/c1-17-24(26(33)31-21-6-4-3-5-7-21)25(19-12-14-22(37-2)15-13-19)32-27(34)23(38-29(32)30-17)16-18-8-10-20(11-9-18)28(35)36/h3-16,25H,1-2H3,(H,31,33)(H,35,36)/b23-16-InChIKey
LTIUFYVMOPWWMY-KQWNVCNZSA-NSynonyms
4((Z)(5(4METHOXYPHENYL)7METHYL3OXO6(PHENYLCARBAMOYL)5H(13)THIAZOLO(32A)PYRIMIDIN2(3H)YLIDENE)METHYL)BENZOICACID
4((Z)(5(4METHOXYPHENYL)7METHYL3OXO6(PHENYLCARBAMOYL)5H(13)THIAZOLO(32A)PYRIMIDIN2YLIDENE)METHYL)BENZOICACID
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)C(=O)O)SC2=N1)C4=CC=C(C=C4)OC)C(=O)NC5=CC=CC=C5
COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)c(=Cc1ccc(cc1)C(=O)O)s2)C(=O)Nc1ccccc1
InChI=1SC29H23N3O5Sc11724(26(33)31216435721)25(19121422(372)151319)3227(34)23(3829(32)3017)161881020(11918)28(35)36h31625H12H3(H3133)(H3536)b2316
MFCD04127346
ZINC000003770669
ZINC000097959639
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.