Vitas-M small molecule compound
N-(3-chloro-4-methoxyphenyl)-2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Catalog ID
STK557577
SMILES COc1ccc(cc1Cl)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)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 C30H32ClN3O3S MW 550.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32ClN3O3S/c1-19(2)17-34-28(36)26-27(22-10-6-5-9-20(22)16-30(26)13-7-4-8-14-30)33-29(34)38-18-25(35)32-21-11-12-24(37-3)23(31)15-21/h5-6,9-12,15H,1,4,7-8,13-14,16-18H2,2-3H3,(H,32,35)InChIKey
DINKQAWCCGGCRH-UHFFFAOYSA-NSynonyms
575469-99-7575469997
CC(=C)CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC(=O)NC5=CC(=C(C=C5)OC)Cl
InChI=1SC30H32ClN3O3Sc119(2)173428(36)2627(221065920(22)1630(26)137481430)3329(34)381825(35)3221111224(373)23(31)1521h5691215H147813141618H223H3(H3235)
MFCD04026294
N(3chloro4methoxyphenyl)2((3(2methylallyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)acetamide
N(3chloro4methoxyphenyl)2((3(2methylprop2en1yl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetamide
N(3CHLORO4METHOXYPHENYL)2(3(2METHYLPROP2ENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETAMIDE
ZINC000002375945
ZINC2375945
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