Vitas-M small molecule compound

4-(acetylamino)-N-{5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}benzamide

Catalog ID
STK288583
SMILES COc1ccc(cc1)N1CC(CC1=O)c1nnc(s1)NC(=O)c1ccc(cc1)NC(=O)C

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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 C22H21N5O4S MW 451.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O4S/c1-13(28)23-16-5-3-14(4-6-16)20(30)24-22-26-25-21(32-22)15-11-19(29)27(12-15)17-7-9-18(31-2)10-8-17/h3-10,15H,11-12H2,1-2H3,(H,23,28)(H,24,26,30)
InChIKey
RKNPHARCGWJNJN-UHFFFAOYSA-N
Synonyms
931376-98-6
4(acetylamino)N(5(1(4methoxyphenyl)5oxopyrrolidin3yl)134thiadiazol2yl)benzamide
4acetamidoN(5(1(4methoxyphenyl)5oxopyrrolidin3yl)134thiadiazol2yl)benzamide
931376986
CC(=O)NC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C3CC(=O)N(C3)C4=CC=C(C=C4)OC
InChI=1SC22H21N5O4Sc113(28)23165314(4616)20(30)2422262521(3222)151119(29)27(1215)177918(312)10817h31015H1112H212H3(H2328)(H242630)
MFCD09271435
N(4(N(5(1(4METHOXYPHENYL)5OXOPYRROLIDIN3YL)134THIADIAZOL2YL)CARBAMOYL)PHENYL)ACETAMIDE
ZINC000013944310
ZINC000013944311

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Available files

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