Vitas-M small molecule compound
1-[(2,4-dimethylbenzyl)sulfanyl]-4-(2-methoxyphenyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK531077
SMILES COc1ccccc1n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCc1ccc(cc1C)C
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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 C34H34N4O2S MW 562.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34N4O2S/c1-22-15-16-25(23(2)19-22)21-41-33-36-35-32-37(27-13-7-8-14-28(27)40-3)31(39)29-30(38(32)33)26-12-6-5-11-24(26)20-34(29)17-9-4-10-18-34/h5-8,11-16,19H,4,9-10,17-18,20-21H2,1-3H3InChIKey
SUHFYPQGCSWIMK-UHFFFAOYSA-NSynonyms
1((24dimethylbenzyl)sulfanyl)4(2methoxyphenyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
1((24dimethylbenzyl)thio)4(2methoxyphenyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
CC1=CC(=C(C=C1)CSC2=NN=C3N2C4=C(C(=O)N3C5=CC=CC=C5OC)C6(CCCCC6)CC7=CC=CC=C74)C
InChI=1SC34H34N4O2Sc122151625(23(2)1922)21413336353237(2713781428(27)403)31(39)2930(38(32)33)2612651124(26)2034(29)1794101834h58111619H491017182021H213H3
MFCD02242241
ZINC000001875998
ZINC1875998
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