Vitas-M small molecule compound

N-[(2E)-5-benzyl-1,3,4-thiadiazol-2(3H)-ylidene]-1-(2-methoxybenzyl)-5-oxopyrrolidine-3-carboxamide

Catalog ID
STK652805
SMILES COc1ccccc1CN1CC(CC1=O)C(=O)/N=c/1\[nH]nc(s1)Cc1ccccc1

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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 C22H22N4O3S MW 422.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3S/c1-29-18-10-6-5-9-16(18)13-26-14-17(12-20(26)27)21(28)23-22-25-24-19(30-22)11-15-7-3-2-4-8-15/h2-10,17H,11-14H2,1H3,(H,23,25,28)
InChIKey
PWWFIEBOBPDTBQ-UHFFFAOYSA-N
Synonyms
1144485-31-3
1144485313
COC1=CC=CC=C1CN2CC(CC2=O)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4
COc1ccccc1CN1CC(CC1=O)C(=O)N=c1(nH)nc(s1)Cc1ccccc1
InChI=1SC22H22N4O3Sc129181065916(18)13261417(1220(26)27)21(28)2322252419(3022)11157324815h21017H1114H21H3(H232528)
MFCD18166461
N((2E)5benzyl134thiadiazol2(3H)ylidene)1(2methoxybenzyl)5oxopyrrolidine3carboxamide
N(5benzyl134thiadiazol2yl)1((2methoxyphenyl)methyl)5oxopyrrolidine3carboxamide
ZINC000031812542
ZINC000031812549

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Available files

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