Vitas-M small molecule compound

3,4,5-trimethoxy-N-[(2E)-5-(1-phenylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]benzamide

Catalog ID
STL052713
SMILES CCC(c1n[nH]/c(=N\C(=O)c2cc(OC)c(c(c2)OC)OC)/s1)c1ccccc1

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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 C21H23N3O4S MW 413.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4S/c1-5-15(13-9-7-6-8-10-13)20-23-24-21(29-20)22-19(25)14-11-16(26-2)18(28-4)17(12-14)27-3/h6-12,15H,5H2,1-4H3,(H,22,24,25)
InChIKey
MKZWTXCFUWYRNK-UHFFFAOYSA-N
Synonyms
714940-49-5
714940495
CCC(c1n(nH)c(=NC(=O)c2cc(OC)c(c(c2)OC)OC)s1)c1ccccc1
MFCD05736609
ZINC000009328151
ZINC000009328153

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Available files

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