Vitas-M small molecule compound
2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-8,9-dimethyl-7-(2-methylpropyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK945627
SMILES CC(Cn1c2ncn3c(c2c(c1C)C)nc(n3)CSc1nc2c(s1)cccc2)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 C21H22N6S2 MW 422.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6S2/c1-12(2)9-26-14(4)13(3)18-19(26)22-11-27-20(18)24-17(25-27)10-28-21-23-15-7-5-6-8-16(15)29-21/h5-8,11-12H,9-10H2,1-4H3InChIKey
AJFCQQGWLMPVNP-UHFFFAOYSA-NSynonyms
2((13benzothiazol2ylsulfanyl)methyl)89dimethyl7(2methylpropyl)7Hpyrrolo(32e)(124)triazolo(15c)pyrimidine
CC1=C(N(C2=C1C3=NC(=NN3C=N2)CSC4=NC5=CC=CC=C5S4)CC(C)C)C
InChI=1SC21H22N6S2c112(2)92614(4)13(3)1819(26)22112720(18)2417(2527)1028212315756816(15)2921h581112H910H214H3
MFCD14830748
ZINC000015842280
ZINC15842280
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