Vitas-M small molecule compound

3-(2,1,3-benzoxadiazol-4-yl)-1-methyl-1-[(4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-5-yl)methyl]thiourea

Catalog ID
STL239505
SMILES CN(C(=S)Nc1cccc2c1non2)Cc1cc2cccc3c2n(c1=O)CC3

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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 C20H17N5O2S MW 391.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N5O2S/c1-24(20(28)21-15-6-3-7-16-17(15)23-27-22-16)11-14-10-13-5-2-4-12-8-9-25(18(12)13)19(14)26/h2-7,10H,8-9,11H2,1H3,(H,21,28)
InChIKey
GWNLSRVQTZBLBL-UHFFFAOYSA-N
Synonyms
951971-49-6
3(213benzoxadiazol4yl)1methyl1((4oxo12dihydro4Hpyrrolo(321ij)quinolin5yl)methyl)thiourea
3(benzo(c)(125)oxadiazol4yl)1methyl1((4oxo24dihydro1Hpyrrolo(321ij)quinolin5yl)methyl)thiourea
951971496
CN(CC1=CC2=C3C(=CC=C2)CCN3C1=O)C(=S)NC4=CC=CC5=NON=C54
InChI=1SC20H17N5O2Sc124(20(28)21156371617(15)23272216)11141013524128925(18(12)13)19(14)26h2710H8911H21H3(H2128)
MFCD09850548
ZINC000013687768
ZINC13687768

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Available files

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