Vitas-M small molecule compound

N-(5-pentyl-1,3,4-thiadiazol-2-yl)-9H-xanthene-9-carboxamide

Catalog ID
STK159185
SMILES CCCCCc1nnc(s1)NC(=O)C1c2ccccc2Oc2c1cccc2

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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 C21H21N3O2S MW 379.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O2S/c1-2-3-4-13-18-23-24-21(27-18)22-20(25)19-14-9-5-7-11-16(14)26-17-12-8-6-10-15(17)19/h5-12,19H,2-4,13H2,1H3,(H,22,24,25)
InChIKey
MQTSHPYSNBSJAR-UHFFFAOYSA-N
Synonyms
708226-86-2
708226862
CCCCCC1=NN=C(S1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24
InChI=1SC21H21N3O2Sc12341318232421(2718)2220(25)19149571116(14)261712861015(17)19h51219H2413H21H3(H222425)
MFCD04278004
N(5PENTYL(134THIADIAZOL2YL))XANTHEN9YLCARBOXAMIDE
N(5PENTYL134THIADIAZOL2YL)9HXANTHENE9CARBOXAMIDE
ZINC000002857442
ZINC02857442
ZINC2857442

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Available files

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