Vitas-M small molecule compound
N-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-4-(pyridin-3-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzothiazepine-3-carboxamide
Catalog ID
STL439472
SMILES COc1ccc(c(c1)OC)NC(=O)C1(C)CSc2c(C(=O)N1Cc1cccnc1)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 C25H25N3O4S MW 463.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O4S/c1-25(24(30)27-20-11-10-18(31-2)13-21(20)32-3)16-33-22-9-5-4-8-19(22)23(29)28(25)15-17-7-6-12-26-14-17/h4-14H,15-16H2,1-3H3,(H,27,30)InChIKey
UWHAUYJQSURPEF-UHFFFAOYSA-NSynonyms
CC1(CSC2=CC=CC=C2C(=O)N1CC3=CN=CC=C3)C(=O)NC4=C(C=C(C=C4)OC)OC
InChI=1SC25H25N3O4Sc125(24(30)2720111018(312)1321(20)323)163322954819(22)23(29)28(25)15177612261417h414H1516H213H3(H2730)
MFCD06243272
N(24dimethoxyphenyl)3methyl5oxo4(pyridin3ylmethyl)2345tetrahydro14benzothiazepine3carboxamide
N(24DIMETHOXYPHENYL)3METHYL5OXO4(PYRIDIN3YLMETHYL)2H14BENZOTHIAZEPINE3CARBOXAMIDE
ZINC000001418825
ZINC000001418826
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