Vitas-M small molecule compound
2-{[(3-ethyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-1H-isoindole-1,3(2H)-dione
Catalog ID
STK337610
SMILES CCn1c(SCN2C(=O)c3c(C2=O)cccc3)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 C21H19N3O3S2 MW 425.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O3S2/c1-2-23-20(27)16-14-9-5-6-10-15(14)29-17(16)22-21(23)28-11-24-18(25)12-7-3-4-8-13(12)19(24)26/h3-4,7-8H,2,5-6,9-11H2,1H3InChIKey
DAJCJKYEZQMCQH-UHFFFAOYSA-NSynonyms
2(((3ethyl4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)methyl)1Hisoindole13(2H)dione
2((3ethyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanylmethyl)isoindole13dione
CCN1C(=O)C2=C(N=C1SCN3C(=O)C4=CC=CC=C4C3=O)SC5=C2CCCC5
InChI=1SC21H19N3O3S2c122320(27)16149561015(14)2917(16)2221(23)28112418(25)12734813(12)19(24)26h3478H256911H21H3
MFCD05509635
ZINC000012843615
ZINC12843615
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