Vitas-M small molecule compound
methyl (2Z)-[5-amino-6-cyano-8-(dimethylcarbamoyl)-3-oxo-7-(thiophen-2-yl)-7H-[1,3]thiazolo[3,2-a]pyridin-2(3H)-ylidene]ethanoate
Catalog ID
STL485341
SMILES COC(=O)/C=c/1\sc2=C(C(=O)N(C)C)C(C(=C(n2c1=O)N)C#N)c1cccs1
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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 C18H16N4O4S2 MW 416.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O4S2/c1-21(2)17(25)14-13(10-5-4-6-27-10)9(8-19)15(20)22-16(24)11(28-18(14)22)7-12(23)26-3/h4-7,13H,20H2,1-3H3/b11-7-InChIKey
QBFBFXWCRMJTGZ-XFFZJAGNSA-NSynonyms
CN(C)C(=O)C1=C2N(C(=C(C1C3=CC=CS3)C#N)N)C(=O)C(=CC(=O)OC)S2
COC(=O)C=c1sc2=C(C(=O)N(C)C)C(C(=C(n2c1=O)N)C#N)c1cccs1
InChI=1SC18H16N4O4S2c121(2)17(25)1413(105462710)9(819)15(20)2216(24)11(2818(14)22)712(23)263h4713H20H213H3b117
methyl(2Z)(5amino6cyano8(dimethylcarbamoyl)3oxo7(thiophen2yl)7H(13)thiazolo(32a)pyridin2(3H)ylidene)ethanoate
methyl(2Z)2(5amino6cyano8(dimethylcarbamoyl)3oxo7thiophen2yl7H(13)thiazolo(32a)pyridin2ylidene)acetate
MFCD08273206
ZINC000033431913
ZINC000033431916
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