Vitas-M small molecule compound

2-{(2E)-2-[4-(dimethylamino)benzylidene]hydrazinyl}-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

Catalog ID
STK984225
SMILES COc1ccc(cc1)n1c(N/N=C/c2ccc(cc2)N(C)C)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 C26H27N5O2S MW 473.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N5O2S/c1-30(2)18-10-8-17(9-11-18)16-27-29-26-28-24-23(21-6-4-5-7-22(21)34-24)25(32)31(26)19-12-14-20(33-3)15-13-19/h8-16H,4-7H2,1-3H3,(H,28,29)/b27-16+
InChIKey
XQXQQBUPLGPYND-JVWAILMASA-N
Synonyms

2((2E)2((4(dimethylamino)phenyl)methylidene)hydrazinyl)3(4methoxyphenyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
2((2E)2(4(dimethylamino)benzylidene)hydrazinyl)3(4methoxyphenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
CN(C)C1=CC=C(C=C1)C=NNC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)OC
COc1ccc(cc1)n1c(NN=Cc2ccc(cc2)N(C)C)nc2c(c1=O)c1CCCCc1s2
InChI=1SC26H27N5O2Sc130(2)1810817(91118)16272926282423(21645722(21)3424)25(32)31(26)19121420(333)151319h816H47H213H3(H2829)b2716+
MFCD01907360
ZINC000012650475
ZINC32604664

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Available files

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