Vitas-M small molecule compound
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Catalog ID
STK735996
SMILES O=C(Nc1nnc(s1)Cc1ccccc1)CSc1nc2sc3c(c2c(=O)n1C)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 C22H21N5O2S3 MW 483.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O2S3/c1-27-20(29)18-14-9-5-6-10-15(14)31-19(18)24-22(27)30-12-16(28)23-21-26-25-17(32-21)11-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3,(H,23,26,28)InChIKey
ZSWLEMHOXATOMK-UHFFFAOYSA-NSynonyms
CN1C(=O)C2=C(N=C1SCC(=O)NC3=NN=C(S3)CC4=CC=CC=C4)SC5=C2CCCC5
InChI=1SC22H21N5O2S3c12720(29)18149561015(14)3119(18)2422(27)301216(28)2321262517(3221)11137324813h2478H56912H21H3(H232628)
MFCD05857376
N(5benzyl134thiadiazol2yl)2((3methyl4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(5benzyl134thiadiazol2yl)2((3methyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000008705791
ZINC08705791
ZINC8705791
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