Vitas-M small molecule compound

methyl 1-(2,5-dimethoxyphenyl)-2-{[2-(methoxycarbonyl)phenyl]carbamoyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate

Catalog ID
STL457194
SMILES COc1ccc(c(c1)C1N(C(=O)Nc2ccccc2C(=O)OC)C(Cc2c1[nH]c1c2cccc1)C(=O)OC)OC

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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 C30H29N3O7 MW 543.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N3O7/c1-37-17-13-14-25(38-2)21(15-17)27-26-20(18-9-5-7-11-22(18)31-26)16-24(29(35)40-4)33(27)30(36)32-23-12-8-6-10-19(23)28(34)39-3/h5-15,24,27,31H,16H2,1-4H3,(H,32,36)
InChIKey
IYARIAGSNDUMRV-UHFFFAOYSA-N
Synonyms

(3S)methyl1(25dimethoxyphenyl)2((2(methoxycarbonyl)phenyl)carbamoyl)2349tetrahydro1Hpyrido(34b)indole3carboxylate
COC1=CC(=C(C=C1)OC)C2C3=C(CC(N2C(=O)NC4=CC=CC=C4C(=O)OC)C(=O)OC)C5=CC=CC=C5N3
COc1ccc(c(c1)C1N(C(=O)Nc2ccccc2C(=O)OC)(C@@H)(Cc2c1(nH)c1c2cccc1)C(=O)OC)OC
COc1ccc(c(c1)C1N(C(=O)Nc2ccccc2C(=O)OC)C(Cc2c1(nH)c1c2cccc1)C(=O)OC)OC
InChI=1SC30H29N3O7c13717131425(382)21(1517)272620(189571122(18)3126)1624(29(35)404)33(27)30(36)322312861019(23)28(34)393h515242731H16H214H3(H3236)
methyl1(25dimethoxyphenyl)2((2(methoxycarbonyl)phenyl)carbamoyl)2349tetrahydro1Hbetacarboline3carboxylate
methyl1(25dimethoxyphenyl)2((2methoxycarbonylphenyl)carbamoyl)1349tetrahydropyrido(34b)indole3carboxylate
MFCD10007636
ZINC000070700828
ZINC000102576092

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Available files

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