Vitas-M small molecule compound

4-benzyl-1-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one

Catalog ID
STK526689
SMILES CC(=C)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2Cc1ccccc1)CCCCC3

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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 C29H30N4OS MW 482.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4OS/c1-20(2)19-35-28-31-30-27-32(18-21-11-5-3-6-12-21)26(34)24-25(33(27)28)23-14-8-7-13-22(23)17-29(24)15-9-4-10-16-29/h3,5-8,11-14H,1,4,9-10,15-19H2,2H3
InChIKey
XNQQPHFBXWYADX-UHFFFAOYSA-N
Synonyms
373376-91-1
373376911
4benzyl1((2methylallyl)thio)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
4benzyl1((2methylprop2en1yl)sulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
CC(=C)CSC1=NN=C2N1C3=C(C(=O)N2CC4=CC=CC=C4)C5(CCCCC5)CC6=CC=CC=C63
InChI=1SC29H30N4OSc120(2)19352831302732(1821115361221)26(34)2425(33(27)28)2314871322(23)1729(24)1594101629h3581114H149101519H22H3
MFCD01946580
ZINC000002280014
ZINC2280014

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Available files

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