Vitas-M small molecule compound
propan-2-yl (2Z)-2-{5-chloro-2-[(3-chlorobenzyl)oxy]benzylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK035518
SMILES COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C/c1cc(Cl)ccc1OCc1cccc(c1)Cl)/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 C32H28Cl2N2O5S MW 623.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28Cl2N2O5S/c1-18(2)41-31(38)28-19(3)35-32-36(29(28)21-8-11-25(39-4)12-9-21)30(37)27(42-32)16-22-15-24(34)10-13-26(22)40-17-20-6-5-7-23(33)14-20/h5-16,18,29H,17H2,1-4H3/b27-16-InChIKey
AWPYHJGGTYEJMR-YUMHPJSZSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=C(C=CC(=C3)Cl)OCC4=CC(=CC=C4)Cl)SC2=N1)C5=CC=C(C=C5)OC)C(=O)OC(C)C
COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)c(=Cc1cc(Cl)ccc1OCc1cccc(c1)Cl)s2)C(=O)OC(C)C
InChI=1SC32H28Cl2N2O5Sc118(2)4131(38)2819(3)353236(29(28)2181125(394)12921)30(37)27(4232)16221524(34)101326(22)40172065723(33)1420h5161829H17H214H3b2716
MFCD03032879
PROPAN2YL(2Z)2((5CHLORO2((3CHLOROPHENYL)METHOXY)PHENYL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
PROPAN2YL(2Z)2(5CHLORO2((3CHLOROBENZYL)OXY)BENZYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
STK035518
ZINC000097958484
ZINC000097958485
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