Vitas-M small molecule compound

methyl (2Z)-5-[4-(acetyloxy)-3-methoxyphenyl]-7-methyl-3-oxo-2-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK799078
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)/c(=C/c1cn(nc1c1cccs1)c1ccccc1)/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 C32H26N4O6S2 MW 626.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H26N4O6S2/c1-18-27(31(39)41-4)29(20-12-13-23(42-19(2)37)24(15-20)40-3)36-30(38)26(44-32(36)33-18)16-21-17-35(22-9-6-5-7-10-22)34-28(21)25-11-8-14-43-25/h5-17,29H,1-4H3/b26-16-
InChIKey
OFYZQOPMLBMAJR-QQXSKIMKSA-N
Synonyms

CC1=C(C(N2C(=O)C(=CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)SC2=N1)C6=CC(=C(C=C6)OC(=O)C)OC)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)c(=Cc1cn(nc1c1cccs1)c1ccccc1)s2
InChI=1SC32H26N4O6S2c11827(31(39)414)29(20121323(4219(2)37)24(1520)403)3630(38)26(4432(36)3318)16211735(2296571022)3428(21)25118144325h51729H14H3b2616
methyl(2Z)5(4(acetyloxy)3methoxyphenyl)7methyl3oxo2((1phenyl3(thiophen2yl)1Hpyrazol4yl)methylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL(2Z)5(4ACETYLOXY3METHOXYPHENYL)7METHYL3OXO2((1PHENYL3THIOPHEN2YLPYRAZOL4YL)METHYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD03462256
ZINC000096021935
ZINC000096021937

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.