Vitas-M small molecule compound

4-oxo-N-[(2E)-5-(propylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4H-chromene-2-carboxamide

Catalog ID
STK849894
SMILES CCCSc1n[nH]/c(=N\C(=O)c2cc(=O)c3c(o2)cccc3)/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 C15H13N3O3S2 MW 347.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N3O3S2/c1-2-7-22-15-18-17-14(23-15)16-13(20)12-8-10(19)9-5-3-4-6-11(9)21-12/h3-6,8H,2,7H2,1H3,(H,16,17,20)
InChIKey
RFEGKAVABNLRHW-UHFFFAOYSA-N
Synonyms
880792-50-7
4oxoN((2E)5(propylsulfanyl)134thiadiazol2(3H)ylidene)4Hchromene2carboxamide
880792507
CCCSC1=NN=C(S1)NC(=O)C2=CC(=O)C3=CC=CC=C3O2
CCCSc1n(nH)c(=NC(=O)c2cc(=O)c3c(o2)cccc3)s1
InChI=1SC15H13N3O3S2c1272215181714(2315)1613(20)12810(19)9534611(9)2112h368H27H21H3(H161720)
MFCD07200737
ZINC000009347973

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Available files

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