Vitas-M small molecule compound
methyl (2Z)-5-methyl-2-{[(3-methyl-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]thieno[2,3-d]pyrimidin-2-yl)carbonyl]imino}-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL316978
SMILES COC(=O)c1[nH]/c(=N/C(=O)c2sc3c(c2C)c(=O)n2c(n3)CCC2)/sc1C
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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 C17H16N4O4S2 MW 404.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4O4S2/c1-7-10-14(18-9-5-4-6-21(9)15(10)23)27-12(7)13(22)20-17-19-11(8(2)26-17)16(24)25-3/h4-6H2,1-3H3,(H,19,20,22)InChIKey
KHGNMPPKFVKNCF-UHFFFAOYSA-NSynonyms
1442083-75-11442083751
CC1=C(SC2=C1C(=O)N3CCCC3=N2)C(=O)NC4=NC(=C(S4)C)C(=O)OC
COC(=O)c1(nH)c(=NC(=O)c2sc3c(c2C)c(=O)n2c(n3)CCC2)sc1C
InChI=1SC17H16N4O4S2c171014(18954621(9)15(10)23)2712(7)13(22)20171911(8(2)2617)16(24)253h46H213H3(H192022)
methyl(2Z)5methyl2(((3methyl4oxo4678tetrahydropyrrolo(12a)thieno(23d)pyrimidin2yl)carbonyl)imino)23dihydro13thiazole4carboxylate
MFCD28028119
ZINC000095478159
ZINC95478159
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