Vitas-M small molecule compound

4-[2-(1H-indol-3-yl)ethyl]-N-(4-methoxyphenyl)-3-methyl-5-oxo-2,3,4,5-tetrahydro-1,4-benzothiazepine-3-carboxamide

Catalog ID
STL485087
SMILES COc1ccc(cc1)NC(=O)C1(C)CSc2c(C(=O)N1CCc1c[nH]c3c1cccc3)cccc2

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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 C28H27N3O3S MW 485.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O3S/c1-28(27(33)30-20-11-13-21(34-2)14-12-20)18-35-25-10-6-4-8-23(25)26(32)31(28)16-15-19-17-29-24-9-5-3-7-22(19)24/h3-14,17,29H,15-16,18H2,1-2H3,(H,30,33)
InChIKey
UHSKCPZRDDEUTD-UHFFFAOYSA-N
Synonyms

4(2(1Hindol3yl)ethyl)N(4methoxyphenyl)3methyl5oxo2345tetrahydro14benzothiazepine3carboxamide
4(2(1HINDOL3YL)ETHYL)N(4METHOXYPHENYL)3METHYL5OXO2H14BENZOTHIAZEPINE3CARBOXAMIDE
CC1(CSC2=CC=CC=C2C(=O)N1CCC3=CNC4=CC=CC=C43)C(=O)NC5=CC=C(C=C5)OC
COc1ccc(cc1)NC(=O)C1(C)CSc2c(C(=O)N1CCc1c(nH)c3c1cccc3)cccc2
InChI=1SC28H27N3O3Sc128(27(33)3020111321(342)141220)1835251064823(25)26(32)31(28)161519172924953722(19)24h3141729H151618H212H3(H3033)
MFCD06244607
ZINC000001409470
ZINC000001409471

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Available files

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