Vitas-M small molecule compound
methyl (2Z)-[5-amino-6-cyano-8-(methylcarbamoyl)-3-oxo-7-(pyridin-4-yl)-7H-[1,3]thiazolo[3,2-a]pyridin-2(3H)-ylidene]ethanoate
Catalog ID
STL485451
SMILES CNC(=O)C1=c2s/c(=C\C(=O)OC)/c(=O)n2C(=C(C1c1ccncc1)C#N)N
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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 C18H15N5O4S MW 397.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N5O4S/c1-21-16(25)14-13(9-3-5-22-6-4-9)10(8-19)15(20)23-17(26)11(28-18(14)23)7-12(24)27-2/h3-7,13H,20H2,1-2H3,(H,21,25)/b11-7-InChIKey
OYHSBROEIZBNQW-XFFZJAGNSA-NSynonyms
CNC(=O)C1=C2N(C(=C(C1C3=CC=NC=C3)C#N)N)C(=O)C(=CC(=O)OC)S2
CNC(=O)C1=c2sc(=CC(=O)OC)c(=O)n2C(=C(C1c1ccncc1)C#N)N
InChI=1SC18H15N5O4Sc12116(25)1413(93522649)10(819)15(20)2317(26)11(2818(14)23)712(24)272h3713H20H212H3(H2125)b117
methyl(2Z)(5amino6cyano8(methylcarbamoyl)3oxo7(pyridin4yl)7H(13)thiazolo(32a)pyridin2(3H)ylidene)ethanoate
METHYL(2Z)2(5AMINO6CYANO8(METHYLCARBAMOYL)3OXO7PYRIDIN4YL7H(13)THIAZOLO(32A)PYRIDIN2YLIDENE)ACETATE
MFCD07773472
ZINC000003764698
ZINC000003764700
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