Vitas-M small molecule compound

methyl (4Z)-2-methyl-5-oxo-1-phenyl-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate

Catalog ID
STK168481
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cccs1)c1ccccc1

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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 C18H15NO3S MW 325.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15NO3S/c1-12-16(18(21)22-2)15(11-14-9-6-10-23-14)17(20)19(12)13-7-4-3-5-8-13/h3-11H,1-2H3/b15-11-
InChIKey
SSWZVQSYIQRAMB-PTNGSMBKSA-N
Synonyms

CC1=C(C(=CC2=CC=CS2)C(=O)N1C3=CC=CC=C3)C(=O)OC
InChI=1SC18H15NO3Sc11216(18(21)222)15(111496102314)17(20)19(12)137435813h311H12H3b1511
METHYL(4Z)2METHYL5OXO1PHENYL4(THIOPHEN2YLMETHYLIDENE)45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)2METHYL5OXO1PHENYL4(THIOPHEN2YLMETHYLIDENE)PYRROLE3CARBOXYLATE
MFCD08680039
ZINC000009846953
ZINC09846953
ZINC9846953

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.