Vitas-M small molecule compound
5-{[3-(benzylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-3-methyl-5-oxopentanoic acid
Catalog ID
STK470965
SMILES OC(=O)CC(CC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2)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 C22H26N2O4S MW 414.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O4S/c1-14(12-19(26)27)11-18(25)24-22-20(16-9-5-6-10-17(16)29-22)21(28)23-13-15-7-3-2-4-8-15/h2-4,7-8,14H,5-6,9-13H2,1H3,(H,23,28)(H,24,25)(H,26,27)InChIKey
QQVDVGFWZJLTHU-UHFFFAOYSA-NSynonyms
5((3(benzylcarbamoyl)4567tetrahydro1benzothiophen2yl)amino)3methyl5oxopentanoicacid
CC(CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)NCC3=CC=CC=C3)CC(=O)O
InChI=1SC22H26N2O4Sc114(1219(26)27)1118(25)242220(169561017(16)2922)21(28)2313157324815h247814H56913H21H3(H2328)(H2425)(H2627)
MFCD06021698
ZINC000017089990
ZINC000017089991
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