Vitas-M small molecule compound
N-(2-tert-butylphenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL342075
SMILES C=CCn1c(SCC(=O)Nc2ccccc2C(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 C25H29N3O2S2 MW 467.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O2S2/c1-5-14-28-23(30)21-16-10-6-9-13-19(16)32-22(21)27-24(28)31-15-20(29)26-18-12-8-7-11-17(18)25(2,3)4/h5,7-8,11-12H,1,6,9-10,13-15H2,2-4H3,(H,26,29)InChIKey
RBXPNLZNHVEONE-UHFFFAOYSA-NSynonyms
587007-62-32((3allyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(2(tertbutyl)phenyl)acetamide
587007623
CC(C)(C)C1=CC=CC=C1NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC=C
InChI=1SC25H29N3O2S2c15142823(30)211610691319(16)3222(21)2724(28)311520(29)261812871117(18)25(23)4h5781112H169101315H224H3(H2629)
MFCD04032353
N(2tertbutylphenyl)2((4oxo3(prop2en1yl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(2tertbutylphenyl)2((4oxo3prop2enyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000002395759
ZINC02395759
ZINC2395759
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