Vitas-M small molecule compound
4-chloro-3-(5-{(E)-[5-(4-chlorophenyl)-7-methyl-3-oxo-6-[(propan-2-yloxy)carbonyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK326003
SMILES CC(OC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)/c(=C\c1ccc(o1)c1cc(ccc1Cl)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 C29H22Cl2N2O6S MW 597.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22Cl2N2O6S/c1-14(2)38-28(37)24-15(3)32-29-33(25(24)16-4-7-18(30)8-5-16)26(34)23(40-29)13-19-9-11-22(39-19)20-12-17(27(35)36)6-10-21(20)31/h4-14,25H,1-3H3,(H,35,36)/b23-13+InChIKey
LLJIXORYMKWQHW-YDZHTSKRSA-NSynonyms
4chloro3(5((E)(5(4chlorophenyl)7methyl3oxo6((propan2yloxy)carbonyl)5H(13)thiazolo(32a)pyrimidin2(3H)ylidene)methyl)furan2yl)benzoicacid
4chloro3(5((E)(5(4chlorophenyl)7methyl3oxo6propan2yloxycarbonyl5H(13)thiazolo(32a)pyrimidin2ylidene)methyl)furan2yl)benzoicacid
CC(OC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)c(=Cc1ccc(o1)c1cc(ccc1Cl)C(=O)O)s2)C
CC1=C(C(N2C(=O)C(=CC3=CC=C(O3)C4=C(C=CC(=C4)C(=O)O)Cl)SC2=N1)C5=CC=C(C=C5)Cl)C(=O)OC(C)C
InChI=1SC29H22Cl2N2O6Sc114(2)3828(37)2415(3)322933(25(24)164718(30)8516)26(34)23(4029)131991122(3919)201217(27(35)36)61021(20)31h41425H13H3(H3536)b2313+
MFCD05149817
ZINC000097962566
ZINC000097962567
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