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}methyl)benzoate
Catalog ID
STK837610
SMILES C=CCn1c(SCc2ccc(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 C22H22N2O3S2 MW 426.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O3S2/c1-3-12-24-20(25)18-16-6-4-5-7-17(16)29-19(18)23-22(24)28-13-14-8-10-15(11-9-14)21(26)27-2/h3,8-11H,1,4-7,12-13H2,2H3InChIKey
KHDDARNVCAIAPZ-UHFFFAOYSA-NSynonyms
315239-22-6315239226
COC(=O)C1=CC=C(C=C1)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC=C
InChI=1SC22H22N2O3S2c13122420(25)1816645717(16)2919(18)2322(24)28131481015(11914)21(26)272h3811H1471213H22H3
methyl4(((3allyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)methyl)benzoate
methyl4(((4oxo3(prop2en1yl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)methyl)benzoate
methyl4((4oxo3prop2enyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanylmethyl)benzoate
MFCD02222132
ZINC000000710077
ZINC00710077
ZINC710077
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