Vitas-M small molecule compound

2-[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

Catalog ID
STK049165
SMILES COc1cc(cc(c1OCc1cccc2c1cccc2)Cl)c1nc2sc3c(c2c(=O)[nH]1)CCCC3

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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 C28H23ClN2O3S MW 503.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23ClN2O3S/c1-33-22-14-18(26-30-27(32)24-20-11-4-5-12-23(20)35-28(24)31-26)13-21(29)25(22)34-15-17-9-6-8-16-7-2-3-10-19(16)17/h2-3,6-10,13-14H,4-5,11-12,15H2,1H3,(H,30,31,32)
InChIKey
YVAFFCRDFOHZMU-UHFFFAOYSA-N
Synonyms

2(3chloro5methoxy4(naphthalen1ylmethoxy)phenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(3chloro5methoxy4(naphthalen1ylmethoxy)phenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
COC1=C(C(=CC(=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)Cl)OCC5=CC=CC6=CC=CC=C65
COc1cc(cc(c1OCc1cccc2c1cccc2)Cl)c1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC28H23ClN2O3Sc133221418(263027(32)242011451223(20)3528(24)3126)1321(29)25(22)341517968167231019(16)17h236101314H45111215H21H3(H303132)
MFCD03184207
STK049165
ZINC000002124724
ZINC02124724
ZINC2124724

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Available files

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