Vitas-M small molecule compound
ethyl {[4-(3-methoxyphenyl)-5-oxo-5,7-dihydro-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-1-yl]sulfanyl}acetate
Catalog ID
STK772636
SMILES CCOC(=O)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1cccc(c1)OC)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 C29H30N4O4S MW 530.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O4S/c1-3-37-23(34)18-38-28-31-30-27-32(20-11-9-12-21(16-20)36-2)26(35)24-25(33(27)28)22-13-6-5-10-19(22)17-29(24)14-7-4-8-15-29/h5-6,9-13,16H,3-4,7-8,14-15,17-18H2,1-2H3InChIKey
ODKHYUVNJRTOMO-UHFFFAOYSA-NSynonyms
CCOC(=O)CSC1=NN=C2N1C3=C(C(=O)N2C4=CC(=CC=C4)OC)C5(CCCCC5)CC6=CC=CC=C63
ethyl((4(3methoxyphenyl)5oxo57dihydro4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)1yl)sulfanyl)acetate
ethyl2((4(3methoxyphenyl)5oxo57dihydro4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)1yl)thio)acetate
InChI=1SC29H30N4O4Sc133723(34)18382831302732(201191221(1620)362)26(35)2425(33(27)28)2213651019(22)1729(24)147481529h5691316H347814151718H212H3
MFCD02235273
ZINC000001782897
ZINC1782897
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