Vitas-M small molecule compound

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamide

Catalog ID
STL474749
SMILES COc1c(OC)ccc2c1oc(=O)c(c2C)CC(=O)NC(c1nc2c([nH]1)cccc2)C(C)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 C25H27N3O5 MW 449.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O5/c1-13(2)21(24-26-17-8-6-7-9-18(17)27-24)28-20(29)12-16-14(3)15-10-11-19(31-4)23(32-5)22(15)33-25(16)30/h6-11,13,21H,12H2,1-5H3,(H,26,27)(H,28,29)
InChIKey
BNDJRZAZYLFLPB-UHFFFAOYSA-N
Synonyms

(S)N(1(1Hbenzo(d)imidazol2yl)2methylpropyl)2(78dimethoxy4methyl2oxo2Hchromen3yl)acetamide
CC1=C(C(=O)OC2=C1C=CC(=C2OC)OC)CC(=O)NC(C3=NC4=CC=CC=C4N3)C(C)C
COc1c(OC)ccc2c1oc(=O)c(c2C)CC(=O)N(C@H)(c1nc2c((nH)1)cccc2)C(C)C
COc1c(OC)ccc2c1oc(=O)c(c2C)CC(=O)NC(c1nc2c((nH)1)cccc2)C(C)C
InChI=1SC25H27N3O5c113(2)21(242617867918(17)2724)2820(29)121614(3)15101119(314)23(325)22(15)3325(16)30h6111321H12H215H3(H2627)(H2829)
MFCD31751238
N(1(1Hbenzimidazol2yl)2methylpropyl)2(78dimethoxy4methyl2oxo2Hchromen3yl)acetamide
N(1(1Hbenzimidazol2yl)2methylpropyl)2(78dimethoxy4methyl2oxochromen3yl)acetamide
ZINC000096116432
ZINC000334161421

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Available files

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