Vitas-M small molecule compound
2-{4-[(propan-2-ylsulfanyl)acetyl]piperazin-1-yl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK646593
SMILES C=CCn1c(nc2c(c1=O)c1CCCCc1s2)N1CCN(CC1)C(=O)CSC(C)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 C22H30N4O2S2 MW 446.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N4O2S2/c1-4-9-26-21(28)19-16-7-5-6-8-17(16)30-20(19)23-22(26)25-12-10-24(11-13-25)18(27)14-29-15(2)3/h4,15H,1,5-14H2,2-3H3InChIKey
IAEDFBUURPGXOR-UHFFFAOYSA-NSynonyms
1010897-92-31010897923
2(4((propan2ylsulfanyl)acetyl)piperazin1yl)3(prop2en1yl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(4(2propan2ylsulfanylacetyl)piperazin1yl)3prop2enyl5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
3allyl2(4(2(isopropylthio)acetyl)piperazin1yl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
CC(C)SCC(=O)N1CCN(CC1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC=C
InChI=1SC22H30N4O2S2c1492621(28)1916756817(16)3020(19)2322(26)25121024(111325)18(27)142915(2)3h415H1514H223H3
MFCD12200724
ZINC000012388941
ZINC12388941
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