Vitas-M small molecule compound
3-{5-[(Z)-(5-iminio-2-methyl-7-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]furan-2-yl}benzoate
Catalog ID
STL047384
SMILES Cc1cn2c(=NC(=O)/C(=C\c3ccc(o3)c3cccc(c3)C(=O)[O-])/C2=[NH2+])s1
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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 C19H13N3O4S MW 379.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13N3O4S/c1-10-9-22-16(20)14(17(23)21-19(22)27-10)8-13-5-6-15(26-13)11-3-2-4-12(7-11)18(24)25/h2-9,20H,1H3,(H,24,25)/b14-8-,20-16?InChIKey
OUJLNTLCPMNTPV-CLFJUMGRSA-NSynonyms
3(5((Z)(5iminio2methyl7oxo5H(13)thiazolo(32a)pyrimidin6(7H)ylidene)methyl)furan2yl)benzoate
3(5((Z)(5IMINO2METHYL7OXO(13)THIAZOLO(32A)PYRIMIDIN6YLIDENE)METHYL)FURAN2YL)BENZOICACID
CC1=CN2C(=N)C(=CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)C(=O)N=C2S1
Cc1cn2c(=NC(=O)C(=Cc3ccc(o3)c3cccc(c3)C(=O)(O))C2=(NH2+))s1
InChI=1SC19H13N3O4Sc11092216(20)14(17(23)2119(22)2710)8135615(2613)1132412(711)18(24)25h2920H1H3(H2425)b1482016?
MFCD04024711
ZINC000020325215
ZINC20325215
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