Vitas-M small molecule compound
4-benzyl-1-[(2,4-dimethylbenzyl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK526143
SMILES Cc1ccc(c(c1)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 C34H34N4OS MW 546.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34N4OS/c1-23-15-16-27(24(2)19-23)22-40-33-36-35-32-37(21-25-11-5-3-6-12-25)31(39)29-30(38(32)33)28-14-8-7-13-26(28)20-34(29)17-9-4-10-18-34/h3,5-8,11-16,19H,4,9-10,17-18,20-22H2,1-2H3InChIKey
YIWWVFHDGPGSBW-UHFFFAOYSA-NSynonyms
374095-98-4374095984
4benzyl1((24dimethylbenzyl)sulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
4benzyl1((24dimethylbenzyl)thio)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
CC1=CC(=C(C=C1)CSC2=NN=C3N2C4=C(C(=O)N3CC5=CC=CC=C5)C6(CCCCC6)CC7=CC=CC=C74)C
InChI=1SC34H34N4OSc123151627(24(2)1923)22403336353237(2125115361225)31(39)2930(38(32)33)2814871326(28)2034(29)1794101834h358111619H491017182022H212H3
MFCD01951796
ZINC000002283612
ZINC2283612
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