Vitas-M small molecule compound
propan-2-yl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[(2E)-3-phenylprop-2-en-1-ylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK796781
SMILES COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C/C=C/c1ccccc1)/s2)C(=O)OC(C)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 C27H26N2O4S MW 474.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O4S/c1-17(2)33-26(31)23-18(3)28-27-29(24(23)20-13-15-21(32-4)16-14-20)25(30)22(34-27)12-8-11-19-9-6-5-7-10-19/h5-17,24H,1-4H3/b11-8+,22-12-InChIKey
YDAYGRGMBTZOMY-KJMLGPIDSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC=CC3=CC=CC=C3)SC2=N1)C4=CC=C(C=C4)OC)C(=O)OC(C)C
COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)c(=CC=Cc1ccccc1)s2)C(=O)OC(C)C
InChI=1SC27H26N2O4Sc117(2)3326(31)2318(3)282729(24(23)20131521(324)161420)25(30)22(3427)128111996571019h51724H14H3b118+2212
MFCD13372524
propan2yl(2Z)5(4methoxyphenyl)7methyl3oxo2((2E)3phenylprop2en1ylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROPAN2YL(2Z)5(4METHOXYPHENYL)7METHYL3OXO2((E)3PHENYLPROP2ENYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000033422560
ZINC000039381488
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