Vitas-M small molecule compound

N-[1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyrazin-6-yl)butanamide

Catalog ID
STL410859
SMILES CSCCC(c1nc2c([nH]1)cccc2)NC(=O)CCCN1C(=O)c2c(C1=O)nccn2

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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 C21H22N6O3S MW 438.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O3S/c1-31-12-8-15(19-25-13-5-2-3-6-14(13)26-19)24-16(28)7-4-11-27-20(29)17-18(21(27)30)23-10-9-22-17/h2-3,5-6,9-10,15H,4,7-8,11-12H2,1H3,(H,24,28)(H,25,26)
InChIKey
GAKBKGCTYBHTDR-UHFFFAOYSA-N
Synonyms

(S)N(1(1Hbenzo(d)imidazol2yl)3(methylthio)propyl)4(57dioxo5Hpyrrolo(34b)pyrazin6(7H)yl)butanamide
CSCC(C@@H)(c1nc2c((nH)1)cccc2)NC(=O)CCCN1C(=O)c2c(C1=O)nccn2
CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CCCN3C(=O)C4=NC=CN=C4C3=O
CSCCC(c1nc2c((nH)1)cccc2)NC(=O)CCCN1C(=O)c2c(C1=O)nccn2
InChI=1SC21H22N6O3Sc13112815(192513523614(13)2619)2416(28)74112720(29)1718(21(27)30)231092217h235691015H4781112H21H3(H2428)(H2526)
MFCD30706422
N(1(1Hbenzimidazol2yl)3(methylsulfanyl)propyl)4(57dioxo57dihydro6Hpyrrolo(34b)pyrazin6yl)butanamide
N(1(1Hbenzimidazol2yl)3methylsulfanylpropyl)4(57dioxopyrrolo(34b)pyrazin6yl)butanamide
ZINC000096232812
ZINC000223237765

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Available files

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