Vitas-M small molecule compound
methyl 4-[({[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STL294546
SMILES C=CCn1c(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 C23H23N3O4S2 MW 469.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O4S2/c1-3-12-26-21(28)19-16-6-4-5-7-17(16)32-20(19)25-23(26)31-13-18(27)24-15-10-8-14(9-11-15)22(29)30-2/h3,8-11H,1,4-7,12-13H2,2H3,(H,24,27)InChIKey
QRODYTLUJKJMIU-UHFFFAOYSA-NSynonyms
315676-56-3315676563
COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC=C
InChI=1SC23H23N3O4S2c13122621(28)1916645717(16)3220(19)2523(26)311318(27)241510814(91115)22(29)302h3811H1471213H22H3(H2427)
methyl4((((4oxo3(prop2en1yl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
methyl4((2((4oxo3prop2enyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
methyl4(2((3allyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamido)benzoate
MFCD02328871
ZINC000000628152
ZINC00628152
ZINC628152
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