Vitas-M small molecule compound
4-{(Z)-[5-(4-chlorophenyl)-7-methyl-3-oxo-6-[(propan-2-yloxy)carbonyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}benzoic acid
Catalog ID
STK984133
SMILES CC(OC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)/c(=C/c1ccc(cc1)C(=O)O)/s2)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 C25H21ClN2O5S MW 496.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN2O5S/c1-13(2)33-24(32)20-14(3)27-25-28(21(20)16-8-10-18(26)11-9-16)22(29)19(34-25)12-15-4-6-17(7-5-15)23(30)31/h4-13,21H,1-3H3,(H,30,31)/b19-12-InChIKey
CLMDJSODPIRAQF-UNOMPAQXSA-NSynonyms
371219-88-4(Z)4((5(4chlorophenyl)6(isopropoxycarbonyl)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidin2ylidene)methyl)benzoicacid
371219884
4((Z)(5(4CHLOROPHENYL)7METHYL3OXO6((PROPAN2YLOXY)CARBONYL)5H(13)THIAZOLO(32A)PYRIMIDIN2(3H)YLIDENE)METHYL)BENZOICACID
4((Z)(5(4CHLOROPHENYL)7METHYL3OXO6((PROPAN2YLOXY)CARBONYL)5H(13)THIAZOLO(32A)PYRIMIDIN8IUM2(3H)YLIDENE)METHYL)BENZOATE
4((Z)(5(4CHLOROPHENYL)7METHYL3OXO6PROPAN2YLOXYCARBONYL5H(13)THIAZOLO(32A)PYRIMIDIN2YLIDENE)METHYL)BENZOICACID
CC(OC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)c(=Cc1ccc(cc1)C(=O)O)s2)C
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)C(=O)O)SC2=N1)C4=CC=C(C=C4)Cl)C(=O)OC(C)C
InChI=1SC25H21ClN2O5Sc113(2)3324(32)2014(3)272528(21(20)1681018(26)11916)22(29)19(3425)12154617(7515)23(30)31h41321H13H3(H3031)b1912
MFCD02374047
ZINC000001901599
ZINC000001901601
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