Vitas-M small molecule compound

methyl 4-[({[3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoate

Catalog ID
STK007037
SMILES CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(=O)OC)nc2c(c1=O)c1CCCCc1s2

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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 C28H27N3O5S2 MW 549.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O5S2/c1-3-36-20-14-12-19(13-15-20)31-26(33)24-21-6-4-5-7-22(21)38-25(24)30-28(31)37-16-23(32)29-18-10-8-17(9-11-18)27(34)35-2/h8-15H,3-7,16H2,1-2H3,(H,29,32)
InChIKey
WLBGEXOKXDEHAP-UHFFFAOYSA-N
Synonyms
498546-14-8
498546148
CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC=C(C=C4)C(=O)OC)SC5=C3CCCC5
CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(=O)OC)nc2c(c1=O)c1CCCCc1s2
InChI=1SC28H27N3O5S2c133620141219(131520)3126(33)2421645722(21)3825(24)3028(31)371623(32)291810817(91118)27(34)352h815H3716H212H3(H2932)
methyl4((((3(4ethoxyphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
methyl4((2((3(4ethoxyphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
methyl4(2((3(4ethoxyphenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamido)benzoate
MFCD03224534
STK007037
ZINC000001804750
ZINC1804750

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Available files

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