Vitas-M small molecule compound

2-[(4-tert-butylbenzyl)sulfanyl]-3-(4-chlorophenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

Catalog ID
STK049947
SMILES Clc1ccc(cc1)n1c(SCc2ccc(cc2)C(C)(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 C27H27ClN2OS2 MW 495.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27ClN2OS2/c1-27(2,3)18-10-8-17(9-11-18)16-32-26-29-24-23(21-6-4-5-7-22(21)33-24)25(31)30(26)20-14-12-19(28)13-15-20/h8-15H,4-7,16H2,1-3H3
InChIKey
LQDZHRONUNXHOP-UHFFFAOYSA-N
Synonyms
499102-72-6
2((4(tertbutyl)benzyl)thio)3(4chlorophenyl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
2((4tertbutylbenzyl)sulfanyl)3(4chlorophenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2((4tertbutylphenyl)methylsulfanyl)3(4chlorophenyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
499102726
CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)Cl
Clc1ccc(cc1)n1c(SCc2ccc(cc2)C(C)(C)C)nc2c(c1=O)c1CCCCc1s2
InChI=1SC27H27ClN2OS2c127(23)1810817(91118)163226292423(21645722(21)3324)25(31)30(26)20141219(28)131520h815H4716H213H3
MFCD03474026
STK049947
ZINC000001830447
ZINC01830447
ZINC1830447

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Available files

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