Vitas-M small molecule compound
2-chloro-4-(5-{(Z)-[5-(2,4-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK021810
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1OC)OC)c(=O)/c(=C/c1ccc(o1)c1ccc(c(c1)Cl)C(=O)O)/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 C30H25ClN2O8S MW 609.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25ClN2O8S/c1-5-40-29(37)25-15(2)32-30-33(26(25)20-10-7-17(38-3)13-23(20)39-4)27(34)24(42-30)14-18-8-11-22(41-18)16-6-9-19(28(35)36)21(31)12-16/h6-14,26H,5H2,1-4H3,(H,35,36)/b24-14-InChIKey
DYQIEIINTGMDMB-OYKKKHCWSA-NSynonyms
2CHLORO4(5((5(24DIMETHOXYPHENYL)6(ETHOXYCARBONYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDIN2(3H)YLIDENE)METHYL)2FURYL)BENZOICACID
2CHLORO4(5((Z)(5(24DIMETHOXYPHENYL)6(ETHOXYCARBONYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDIN2(3H)YLIDENE)METHYL)FURAN2YL)BENZOICACID
2CHLORO4(5((Z)(5(24DIMETHOXYPHENYL)6ETHOXYCARBONYL7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDIN2YLIDENE)METHYL)FURAN2YL)BENZOICACID
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1OC)OC)c(=O)c(=Cc1ccc(o1)c1ccc(c(c1)Cl)C(=O)O)s2
CCOC(=O)C1=C(N=C2N(C1C3=C(C=C(C=C3)OC)OC)C(=O)C(=CC4=CC=C(O4)C5=CC(=C(C=C5)C(=O)O)Cl)S2)C
InChI=1SC30H25ClN2O8Sc154029(37)2515(2)323033(26(25)2010717(383)1323(20)394)27(34)24(4230)141881122(4118)166919(28(35)36)21(31)1216h61426H5H214H3(H3536)b2414
MFCD02642042
STK021810
ZINC000008445350
ZINC000008445351
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