Vitas-M small molecule compound

ethyl 4-({[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate

Catalog ID
STL079567
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1[nH]c(=O)c2c(n1)sc(c2C)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 C19H19N3O4S2 MW 417.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O4S2/c1-4-26-18(25)12-5-7-13(8-6-12)20-14(23)9-27-19-21-16(24)15-10(2)11(3)28-17(15)22-19/h5-8H,4,9H2,1-3H3,(H,20,23)(H,21,22,24)
InChIKey
KPSRLOOUBFYJPL-UHFFFAOYSA-N
Synonyms
494826-16-3
494826163
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=C(S3)C)C)C(=O)N2
CCOC(=O)c1ccc(cc1)NC(=O)CSc1(nH)c(=O)c2c(n1)sc(c2C)C
ethyl4((((56dimethyl4oxo34dihydrothieno(23d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
ETHYL4((2((56DIMETHYL4OXO3HTHIENO(23D)PYRIMIDIN2YL)SULFANYL)ACETYL)AMINO)BENZOATE
ETHYL4(2((56DIMETHYL4OXO34DIHYDROTHIENO(23D)PYRIMIDIN2YL)THIO)ACETAMIDO)BENZOATE
ETHYL4(2(56DIMETHYL4OXO3HYDROTHIOPHENO(23D)PYRIMIDIN2YLTHIO)ACETYLAMINO)BENZOATE
InChI=1SC19H19N3O4S2c142618(25)125713(8612)2014(23)927192116(24)1510(2)11(3)2817(15)2219h58H49H213H3(H2023)(H212224)
MFCD03650850
ZINC000009704214
ZINC02694949
ZINC09704214
ZINC9704214

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Available files

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