Vitas-M small molecule compound
3-{5-[(E)-{[3-(benzylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]imino}methyl]furan-2-yl}-2-methylbenzoic acid
Catalog ID
STK325513
SMILES O=C(c1c(/N=C/c2ccc(o2)c2cccc(c2C)C(=O)O)sc2c1CCCC2)NCc1ccccc1
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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 C29H26N2O4S MW 498.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O4S/c1-18-21(11-7-12-22(18)29(33)34)24-15-14-20(35-24)17-31-28-26(23-10-5-6-13-25(23)36-28)27(32)30-16-19-8-3-2-4-9-19/h2-4,7-9,11-12,14-15,17H,5-6,10,13,16H2,1H3,(H,30,32)(H,33,34)/b31-17+InChIKey
SGIJRHLTOSNHRY-KBVAKVRCSA-NSynonyms
3(5((E)((3(benzylcarbamoyl)4567tetrahydro1benzothiophen2yl)imino)methyl)furan2yl)2methylbenzoicacid
3(5((E)(3(benzylcarbamoyl)4567tetrahydro1benzothiophen2yl)iminomethyl)furan2yl)2methylbenzoicacid
CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)C=NC3=C(C4=C(S3)CCCC4)C(=O)NCC5=CC=CC=C5
InChI=1SC29H26N2O4Sc11821(1171222(18)29(33)34)24151420(3524)17312826(2310561325(23)3628)27(32)3016198324919h24791112141517H56101316H21H3(H3032)(H3334)b3117+
MFCD09961661
O=C(c1c(N=Cc2ccc(o2)c2cccc(c2C)C(=O)O)sc2c1CCCC2)NCc1ccccc1
ZINC000018173499
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