Vitas-M small molecule compound
(4-{(Z)-[6-(ethoxycarbonyl)-5-(4-ethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2-methoxyphenoxy)acetic acid
Catalog ID
STK095033
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OCC)c(=O)/c(=C/c1ccc(c(c1)OC)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 C28H28N2O8S MW 552.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O8S/c1-5-36-19-10-8-18(9-11-19)25-24(27(34)37-6-2)16(3)29-28-30(25)26(33)22(39-28)14-17-7-12-20(21(13-17)35-4)38-15-23(31)32/h7-14,25H,5-6,15H2,1-4H3,(H,31,32)/b22-14-InChIKey
RVSFQVOUVQGBBB-HMAPJEAMSA-NSynonyms
(4((Z)(6(ETHOXYCARBONYL)5(4ETHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDIN2(3H)YLIDENE)METHYL)2METHOXYPHENOXY)ACETICACID
2(4((Z)(6ETHOXYCARBONYL5(4ETHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDIN2YLIDENE)METHYL)2METHOXYPHENOXY)ACETICACID
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OCC)c(=O)c(=Cc1ccc(c(c1)OC)OCC(=O)O)s2
CCOC1=CC=C(C=C1)C2C(=C(N=C3N2C(=O)C(=CC4=CC(=C(C=C4)OCC(=O)O)OC)S3)C)C(=O)OCC
InChI=1SC28H28N2O8Sc15361910818(91119)2524(27(34)3762)16(3)292830(25)26(33)22(3928)141771220(21(1317)354)381523(31)32h71425H5615H214H3(H3132)b2214
MFCD05040378
STK095033
ZINC000002164087
ZINC000002164093
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.