Vitas-M small molecule compound

2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-8,9-dimethyl-7-(2-methylpropyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

Catalog ID
STK945636
SMILES CC(Cn1c2ncn3c(c2c(c1C)C)nc(n3)CSc1nc2c(o1)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 C21H22N6OS MW 406.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6OS/c1-12(2)9-26-14(4)13(3)18-19(26)22-11-27-20(18)24-17(25-27)10-29-21-23-15-7-5-6-8-16(15)28-21/h5-8,11-12H,9-10H2,1-4H3
InChIKey
WZCMQFBVBHHNFT-UHFFFAOYSA-N
Synonyms

2((13benzoxazol2ylsulfanyl)methyl)89dimethyl7(2methylpropyl)7Hpyrrolo(32e)(124)triazolo(15c)pyrimidine
CC1=C(N(C2=C1C3=NC(=NN3C=N2)CSC4=NC5=CC=CC=C5O4)CC(C)C)C
InChI=1SC21H22N6OSc112(2)92614(4)13(3)1819(26)22112720(18)2417(2527)1029212315756816(15)2821h581112H910H214H3
MFCD18180665
ZINC000021801482
ZINC21801482

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Available files

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