Vitas-M small molecule compound
1-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK524878
SMILES Brc1ccc(cc1)C(=O)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1cccc(c1)C)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 C33H29BrN4O2S MW 625.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29BrN4O2S/c1-21-8-7-10-25(18-21)37-30(40)28-29(26-11-4-3-9-23(26)19-33(28)16-5-2-6-17-33)38-31(37)35-36-32(38)41-20-27(39)22-12-14-24(34)15-13-22/h3-4,7-15,18H,2,5-6,16-17,19-20H2,1H3InChIKey
QMRCBTAAHBUBDO-UHFFFAOYSA-NSynonyms
1((2(4bromophenyl)2oxoethyl)sulfanyl)4(3methylphenyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
1((2(4bromophenyl)2oxoethyl)thio)4(mtolyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NN=C6SCC(=O)C7=CC=C(C=C7)Br
InChI=1SC33H29BrN4O2Sc121871025(1821)3730(40)2829(261143923(26)1933(28)165261733)3831(37)353632(38)412027(39)22121424(34)151322h3471518H25616171920H21H3
MFCD01957713
ZINC000101065144
ZINC101065144
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