Vitas-M small molecule compound
{[7-methyl-4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid
Catalog ID
STK722758
SMILES C=CCn1c(SCC(=O)O)nc2c(c1=O)c1CCC(Cc1s2)C
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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 C16H18N2O3S2 MW 350.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O3S2/c1-3-6-18-15(21)13-10-5-4-9(2)7-11(10)23-14(13)17-16(18)22-8-12(19)20/h3,9H,1,4-8H2,2H3,(H,19,20)InChIKey
XLZHULRHDNURTP-UHFFFAOYSA-NSynonyms
((7methyl4oxo3(prop2en1yl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)aceticacid
2((3allyl7methyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)aceticacid
2((7methyl4oxo3prop2enyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)aceticacid
CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)O)CC=C
InChI=1SC16H18N2O3S2c1361815(21)1310549(2)711(10)2314(13)1716(18)22812(19)20h39H148H22H3(H1920)
MFCD02241575
ZINC000004801860
ZINC000004801861
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