Vitas-M small molecule compound
1-{[(1H-benzimidazol-2-ylsulfanyl)acetyl](benzyl)amino}-N-(4-methoxyphenyl)cyclohexanecarboxamide
Catalog ID
STL444517
SMILES COc1ccc(cc1)NC(=O)C1(CCCCC1)N(C(=O)CSc1nc2c([nH]1)cccc2)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 C30H32N4O3S MW 528.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N4O3S/c1-37-24-16-14-23(15-17-24)31-28(36)30(18-8-3-9-19-30)34(20-22-10-4-2-5-11-22)27(35)21-38-29-32-25-12-6-7-13-26(25)33-29/h2,4-7,10-17H,3,8-9,18-21H2,1H3,(H,31,36)(H,32,33)InChIKey
BLMLJPUIBODMCD-UHFFFAOYSA-NSynonyms
1(((1Hbenzimidazol2ylsulfanyl)acetyl)(benzyl)amino)N(4methoxyphenyl)cyclohexanecarboxamide
1((2(1HBENZIMIDAZOL2YLSULFANYL)ACETYL)BENZYLAMINO)N(4METHOXYPHENYL)CYCLOHEXANE1CARBOXAMIDE
1(2(1HBENZO(D)IMIDAZOL2YLTHIO)NBENZYLACETAMIDO)N(4METHOXYPHENYL)CYCLOHEXANECARBOXAMIDE
COC1=CC=C(C=C1)NC(=O)C2(CCCCC2)N(CC3=CC=CC=C3)C(=O)CSC4=NC5=CC=CC=C5N4
COc1ccc(cc1)NC(=O)C1(CCCCC1)N(C(=O)CSc1nc2c((nH)1)cccc2)Cc1ccccc1
InChI=1SC30H32N4O3Sc13724161423(151724)3128(36)30(188391930)34(2022104251122)27(35)213829322512671326(25)3329h2471017H3891821H21H3(H3136)(H3233)
MFCD06240522
ZINC000008694962
ZINC8694962
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