Vitas-M small molecule compound

4-benzyl-1-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one

Catalog ID
STK526077
SMILES Clc1ccc(cc1)C(=O)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 C33H29ClN4O2S MW 581.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29ClN4O2S/c34-25-15-13-23(14-16-25)27(39)21-41-32-36-35-31-37(20-22-9-3-1-4-10-22)30(40)28-29(38(31)32)26-12-6-5-11-24(26)19-33(28)17-7-2-8-18-33/h1,3-6,9-16H,2,7-8,17-21H2
InChIKey
CWIRXGHVWISWLL-UHFFFAOYSA-N
Synonyms

4benzyl1((2(4chlorophenyl)2oxoethyl)sulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
4benzyl1((2(4chlorophenyl)2oxoethyl)thio)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C5=NN=C(N45)SCC(=O)C6=CC=C(C=C6)Cl)CC7=CC=CC=C7
InChI=1SC33H29ClN4O2Sc3425151323(141625)27(39)21413236353137(202293141022)30(40)2829(38(31)32)2612651124(26)1933(28)177281833h136916H2781721H2
MFCD01948510
ZINC000001866816
ZINC1866816

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Available files

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