Vitas-M small molecule compound
3-{[(5-butyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}-1,3-benzothiazole-2(3H)-thione
Catalog ID
STK246821
SMILES CCCCn1c2ccccc2c2c1nc(nn2)SCn1c(=S)sc2c1cccc2
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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 C21H19N5S3 MW 437.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5S3/c1-2-3-12-25-15-9-5-4-8-14(15)18-19(25)22-20(24-23-18)28-13-26-16-10-6-7-11-17(16)29-21(26)27/h4-11H,2-3,12-13H2,1H3InChIKey
KBZMBXXZEMJCNO-UHFFFAOYSA-NSynonyms
3(((5BUTYL5H(124)TRIAZINO(56B)INDOL3YL)SULFANYL)METHYL)13BENZOTHIAZOLE2(3H)THIONE
3((5butyl(124)triazino(56b)indol3yl)sulfanylmethyl)13benzothiazole2thione
CCCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCN4C5=CC=CC=C5SC4=S
InChI=1SC21H19N5S3c123122515954814(15)1819(25)2220(242318)2813261610671117(16)2921(26)27h411H231213H21H3
MFCD07130133
ZINC000009668854
ZINC09668854
ZINC9668854
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