Vitas-M small molecule compound
3-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-5-ethoxy-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Catalog ID
STK543893
SMILES CCOc1nc2sc3c(c2c2n1c(SC/C=C(/Cl)\C)nn2)CC(OC3)(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 C18H21ClN4O2S2 MW 424.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21ClN4O2S2/c1-5-24-16-20-15-13(11-8-18(3,4)25-9-12(11)27-15)14-21-22-17(23(14)16)26-7-6-10(2)19/h6H,5,7-9H2,1-4H3/b10-6+InChIKey
ZTMLTVHKXKBIPW-UXBLZVDNSA-NSynonyms
488101-73-1(E)3((3chlorobut2en1yl)thio)5ethoxy1010dimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidine
3(((2E)3chlorobut2en1yl)sulfanyl)5ethoxy1010dimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidine
488101731
CCOC1=NC2=C(C3=C(S2)COC(C3)(C)C)C4=NN=C(N41)SCC=C(C)Cl
CCOc1nc2sc3c(c2c2n1c(SCC=C(Cl)C)nn2)CC(OC3)(C)C
InChI=1SC18H21ClN4O2S2c152416201513(11818(34)25912(11)2715)14212217(23(14)16)267610(2)19h6H579H214H3b106+
MFCD03288601
ZINC000001260390
ZINC01260390
ZINC1260390
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