Vitas-M small molecule compound

N-[(2Z)-5-cyclopropyl-1,3,4-thiadiazol-2(3H)-ylidene]-5-methoxy-4-oxo-4H-pyran-2-carboxamide

Catalog ID
STK935369
SMILES COc1coc(cc1=O)C(=O)/N=c\1/[nH]nc(s1)C1CC1

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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 C12H11N3O4S MW 293.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11N3O4S/c1-18-9-5-19-8(4-7(9)16)10(17)13-12-15-14-11(20-12)6-2-3-6/h4-6H,2-3H2,1H3,(H,13,15,17)
InChIKey
SMTOZADTLFBYGV-UHFFFAOYSA-N
Synonyms
1219561-13-3
1219561133
COC1=COC(=CC1=O)C(=O)NC2=NN=C(S2)C3CC3
COc1coc(cc1=O)C(=O)N=c1(nH)nc(s1)C1CC1
InChI=1SC12H11N3O4Sc11895198(47(9)16)10(17)1312151411(2012)6236h46H23H21H3(H131517)
MFCD18178049
N((2Z)5cyclopropyl134thiadiazol2(3H)ylidene)5methoxy4oxo4Hpyran2carboxamide
N(5cyclopropyl134thiadiazol2yl)5methoxy4oxopyran2carboxamide
ZINC000040267221
ZINC40267221

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.