Vitas-M small molecule compound
1-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-(2-methylphenyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK526089
SMILES Brc1ccc(cc1)C(=O)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1C)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/c1-21-9-3-6-12-26(21)37-30(40)28-29(25-11-5-4-10-23(25)19-33(28)17-7-2-8-18-33)38-31(37)35-36-32(38)41-20-27(39)22-13-15-24(34)16-14-22/h3-6,9-16H,2,7-8,17-20H2,1H3InChIKey
MNJRPASZUWWEKQ-UHFFFAOYSA-NSynonyms
1((2(4bromophenyl)2oxoethyl)sulfanyl)4(2methylphenyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
1((2(4bromophenyl)2oxoethyl)thio)4(otolyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NN=C6SCC(=O)C7=CC=C(C=C7)Br
InChI=1SC33H29BrN4O2Sc1219361226(21)3730(40)2829(2511541023(25)1933(28)177281833)3831(37)353632(38)412027(39)22131524(34)161422h36916H2781720H21H3
MFCD01951040
ZINC000101065149
ZINC101065149
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