Vitas-M small molecule compound
3-methyl-N-[4-(morpholin-4-yl)phenyl]-4-[3-(morpholin-4-yl)propyl]-5-oxo-2,3,4,5-tetrahydro-1,4-benzothiazepine-3-carboxamide
Catalog ID
STL439474
SMILES O=C1c2ccccc2SCC(N1CCCN1CCOCC1)(C)C(=O)Nc1ccc(cc1)N1CCOCC1
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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 C28H36N4O4S MW 524.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N4O4S/c1-28(27(34)29-22-7-9-23(10-8-22)31-15-19-36-20-16-31)21-37-25-6-3-2-5-24(25)26(33)32(28)12-4-11-30-13-17-35-18-14-30/h2-3,5-10H,4,11-21H2,1H3,(H,29,34)InChIKey
XYALUVKIGFLNCY-UHFFFAOYSA-NSynonyms
3methylN(4(morpholin4yl)phenyl)4(3(morpholin4yl)propyl)5oxo2345tetrahydro14benzothiazepine3carboxamide
3METHYLN(4MORPHOLIN4YLPHENYL)4(3MORPHOLIN4YLPROPYL)5OXO2H14BENZOTHIAZEPINE3CARBOXAMIDE
CC1(CSC2=CC=CC=C2C(=O)N1CCCN3CCOCC3)C(=O)NC4=CC=C(C=C4)N5CCOCC5
InChI=1SC28H36N4O4Sc128(27(34)29227923(10822)31151936201631)213725632524(25)26(33)32(28)1241130131735181430h23510H41121H21H3(H2934)
MFCD06245019
ZINC000025177585
ZINC000025177594
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