Vitas-M small molecule compound
ethyl [(4-benzyl-6-ethyl-6-methyl-5-oxo-4,5,6,7-tetrahydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetate
Catalog ID
STK558187
SMILES CCOC(=O)CSc1nnc2n1c1c3ccccc3CC(c1c(=O)n2Cc1ccccc1)(C)CC
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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 C27H28N4O3S MW 488.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O3S/c1-4-27(3)15-19-13-9-10-14-20(19)23-22(27)24(33)30(16-18-11-7-6-8-12-18)25-28-29-26(31(23)25)35-17-21(32)34-5-2/h6-14H,4-5,15-17H2,1-3H3InChIKey
ZPOCHMNILPAXAD-UHFFFAOYSA-NSynonyms
585559-34-8585559348
CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C4=NN=C(N34)SCC(=O)OCC)CC5=CC=CC=C5)C
ethyl((4benzyl6ethyl6methyl5oxo4567tetrahydrobenzo(h)(124)triazolo(43a)quinazolin1yl)sulfanyl)acetate
ethyl2((4benzyl6ethyl6methyl5oxo4567tetrahydrobenzo(h)(124)triazolo(43a)quinazolin1yl)thio)acetate
InChI=1SC27H28N4O3Sc1427(3)1519139101420(19)2322(27)24(33)30(1618117681218)25282926(31(23)25)351721(32)3452h614H451517H213H3
MFCD04030617
ZINC000002393454
ZINC000002393455
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