Vitas-M small molecule compound
3,7-bis{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine
Catalog ID
STK937542
SMILES C/C(=C/CSc1nnc2n1c1sc3c(c1c1n2c(SC/C=C(\Cl)/C)nn1)CCCC3)/Cl
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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 C20H20Cl2N6S3 MW 511.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20Cl2N6S3/c1-11(21)7-9-29-19-25-23-16-15-13-5-3-4-6-14(13)31-17(15)28-18(27(16)19)24-26-20(28)30-10-8-12(2)22/h7-8H,3-6,9-10H2,1-2H3/b11-7-,12-8-InChIKey
OPRSXSHSFPXEAU-OXAWKVHCSA-NSynonyms
487025-25-237bis(((2Z)3chlorobut2en1yl)sulfanyl)10111213tetrahydro(1)benzothieno(32e)bis(124)triazolo(43a43c)pyrimidine
37bis(((Z)3chlorobut2en1yl)thio)10111213tetrahydrobenzo(45)thieno(32e)bis((124)triazolo)(43a43c)pyrimidine
487025252
CC(=CCSC1=NN=C2N1C3=C(C4=C(S3)CCCC4)C5=NN=C(N52)SCC=C(C)Cl)Cl
CC(=CCSc1nnc2n1c1sc3c(c1c1n2c(SCC=C(Cl)C)nn1)CCCC3)Cl
InChI=1SC20H20Cl2N6S3c111(21)7929192523161513534614(13)3117(15)2818(27(16)19)242620(28)3010812(2)22h78H36910H212H3b117128
MFCD03286686
ZINC000001819492
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