Vitas-M small molecule compound
2-{[4-oxo-3-(pyridin-4-ylmethyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(1,3,4-thiadiazol-2-yl)acetamide
Catalog ID
STK333772
SMILES O=C(Nc1nncs1)CSc1nc2sc3c(c2c(=O)n1Cc1ccncc1)CCCC3
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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 C20H18N6O2S3 MW 470.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N6O2S3/c27-15(23-19-25-22-11-30-19)10-29-20-24-17-16(13-3-1-2-4-14(13)31-17)18(28)26(20)9-12-5-7-21-8-6-12/h5-8,11H,1-4,9-10H2,(H,23,25,27)InChIKey
NDDCIAYXYFSWCN-UHFFFAOYSA-NSynonyms
2((4oxo3(pyridin4ylmethyl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)N(134thiadiazol2yl)acetamide
2((4oxo3(pyridin4ylmethyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N(134thiadiazol2yl)acetamide
C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)CC4=CC=NC=C4)SCC(=O)NC5=NN=CS5
InChI=1SC20H18N6O2S3c2715(23192522113019)102920241716(13312414(13)3117)18(28)26(20)91257218612h5811H14910H2(H232527)
MFCD03945020
ZINC000018196207
ZINC18196207
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