Vitas-M small molecule compound

N-[(2E)-5-cyclopropyl-1,3,4-thiadiazol-2(3H)-ylidene]-3-(2-methoxyphenyl)propanamide

Catalog ID
STK650830
SMILES COc1ccccc1CCC(=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 C15H17N3O2S MW 303.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17N3O2S/c1-20-12-5-3-2-4-10(12)8-9-13(19)16-15-18-17-14(21-15)11-6-7-11/h2-5,11H,6-9H2,1H3,(H,16,18,19)
InChIKey
ZWNADJXAFVKSQF-UHFFFAOYSA-N
Synonyms
757195-12-3
757195123
COC1=CC=CC=C1CCC(=O)NC2=NN=C(S2)C3CC3
COc1ccccc1CCC(=O)N=c1(nH)nc(s1)C1CC1
InChI=1SC15H17N3O2Sc12012532410(12)8913(19)1615181714(2115)116711h2511H69H21H3(H161819)
MFCD18165753
N((2E)5cyclopropyl134thiadiazol2(3H)ylidene)3(2methoxyphenyl)propanamide
ZINC000002661804
ZINC02661804
ZINC2661804

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Available files

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