Vitas-M small molecule compound
methyl 2-amino-4-[5-(1H-benzimidazol-1-ylmethyl)thiophen-3-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Catalog ID
STK785084
SMILES COC(=O)C1=C(N)OC2=C(C1c1csc(c1)Cn1cnc3c1cccc3)C(=O)CC(C2)(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 C25H25N3O4S MW 463.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O4S/c1-25(2)9-18(29)21-19(10-25)32-23(26)22(24(30)31-3)20(21)14-8-15(33-12-14)11-28-13-27-16-6-4-5-7-17(16)28/h4-8,12-13,20H,9-11,26H2,1-3H3InChIKey
IWBZROHPYZVIFH-UHFFFAOYSA-NSynonyms
CC1(CC2=C(C(C(=C(O2)N)C(=O)OC)C3=CSC(=C3)CN4C=NC5=CC=CC=C54)C(=O)C1)C
InChI=1SC25H25N3O4Sc125(2)918(29)2119(1025)3223(26)22(24(30)313)20(21)14815(331214)1128132716645717(16)28h48121320H91126H213H3
methyl2amino4(5(1Hbenzimidazol1ylmethyl)thiophen3yl)77dimethyl5oxo5678tetrahydro4Hchromene3carboxylate
METHYL2AMINO4(5(BENZIMIDAZOL1YLMETHYL)THIOPHEN3YL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBOXYLATE
MFCD07657777
ZINC000012402365
ZINC000012402366
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