Vitas-M small molecule compound
2-chloro-5-({[(4-hydroxy-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoic acid
Catalog ID
STK617098
SMILES O=C(Nc1ccc(c(c1)C(=O)O)Cl)CSc1nc(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 C17H14ClN3O4S2 MW 423.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14ClN3O4S2/c1-7-8(2)27-15-13(7)14(23)20-17(21-15)26-6-12(22)19-9-3-4-11(18)10(5-9)16(24)25/h3-5H,6H2,1-2H3,(H,19,22)(H,24,25)(H,20,21,23)InChIKey
HOWQCAUYORZQFB-UHFFFAOYSA-NSynonyms
887672-78-82chloro5((((4hydroxy56dimethylthieno(23d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoicacid
2CHLORO5((2((56DIMETHYL4OXO3HTHIENO(23D)PYRIMIDIN2YL)SULFANYL)ACETYL)AMINO)BENZOICACID
2CHLORO5(2(56DIMETHYL4OXO34DIHYDROTHIENO(23D)PYRIMIDIN2YLSULFANYL)ACETYLAMINO)BENZOICACID
CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)O)C
InChI=1SC17H14ClN3O4S2c178(2)271513(7)14(23)2017(2115)26612(22)1993411(18)10(59)16(24)25h35H6H212H3(H1922)(H2425)(H202123)
MFCD08735963
ZINC000009186360
ZINC9186360
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