Vitas-M small molecule compound
N-[4-(benzyloxy)phenyl]-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
STL341441
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)OCc2ccccc2)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 C28H27N3O3S2 MW 517.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O3S2/c1-2-16-31-27(33)25-22-10-6-7-11-23(22)36-26(25)30-28(31)35-18-24(32)29-20-12-14-21(15-13-20)34-17-19-8-4-3-5-9-19/h2-5,8-9,12-15H,1,6-7,10-11,16-18H2,(H,29,32)InChIKey
YBFSUZJULYQWLW-UHFFFAOYSA-NSynonyms
843620-52-02((3allyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(4(benzyloxy)phenyl)acetamide
2((4oxo3prop2enyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N(4phenylmethoxyphenyl)acetamide
843620520
C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4)SC5=C2CCCC5
InChI=1SC28H27N3O3S2c12163127(33)252210671123(22)3626(25)3028(31)351824(32)2920121421(151320)3417198435919h25891215H16710111618H2(H2932)
MFCD04027467
N(4(benzyloxy)phenyl)2((4oxo3(prop2en1yl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000002380106
ZINC02380106
ZINC2380106
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