Vitas-M small molecule compound
ethyl [(4-benzyl-6,6-diethyl-5-oxo-4,5,6,7-tetrahydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetate
Catalog ID
STL239267
SMILES CCOC(=O)CSc1nnc2n1c1c3ccccc3CC(c1c(=O)n2Cc1ccccc1)(CC)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 C28H30N4O3S MW 502.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O3S/c1-4-28(5-2)16-20-14-10-11-15-21(20)24-23(28)25(34)31(17-19-12-8-7-9-13-19)26-29-30-27(32(24)26)36-18-22(33)35-6-3/h7-15H,4-6,16-18H2,1-3H3InChIKey
IAQCQPZMMMJESV-UHFFFAOYSA-NSynonyms
847858-19-9847858199
CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C4=NN=C(N34)SCC(=O)OCC)CC5=CC=CC=C5)CC
ethyl((4benzyl66diethyl5oxo4567tetrahydrobenzo(h)(124)triazolo(43a)quinazolin1yl)sulfanyl)acetate
ethyl2((4benzyl66diethyl5oxo4567tetrahydrobenzo(h)(124)triazolo(43a)quinazolin1yl)thio)acetate
InChI=1SC28H30N4O3Sc1428(52)16201410111521(20)2423(28)25(34)31(1719128791319)26293027(32(24)26)361822(33)3563h715H461618H213H3
MFCD04185656
ZINC000002414101
ZINC2414101
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