Vitas-M small molecule compound

3-{[(2E)-4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2(3H)-ylidene]carbamoyl}-2,2-dimethylcyclopropanecarboxylic acid

Catalog ID
STL158672
SMILES CCOC(=O)Cc1cs/c(=N/C(=O)C2C(C2(C)C)C(=O)O)/[nH]1

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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 C14H18N2O5S MW 326.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18N2O5S/c1-4-21-8(17)5-7-6-22-13(15-7)16-11(18)9-10(12(19)20)14(9,2)3/h6,9-10H,4-5H2,1-3H3,(H,19,20)(H,15,16,18)
InChIKey
CCCRHJYAWIUNTL-UHFFFAOYSA-N
Synonyms
1310946-61-2
1310946612
3(((2E)4(2ethoxy2oxoethyl)13thiazol2(3H)ylidene)carbamoyl)22dimethylcyclopropanecarboxylicacid
3((4(2ethoxy2oxoethyl)13thiazol2yl)carbamoyl)22dimethylcyclopropane1carboxylicacid
CCOC(=O)CC1=CSC(=N1)NC(=O)C2C(C2(C)C)C(=O)O
CCOC(=O)Cc1csc(=NC(=O)C2C(C2(C)C)C(=O)O)(nH)1
InChI=1SC14H18N2O5Sc14218(17)5762213(157)1611(18)910(12(19)20)14(92)3h6910H45H213H3(H1920)(H151618)
MFCD20758418
ZINC000071282022
ZINC000071282027

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Available files

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