Vitas-M small molecule compound
N-benzyl-2-{[3-(3-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Catalog ID
STK542099
SMILES COc1cccc(c1)n1c(SCC(=O)NCc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
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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 C33H33N3O3S MW 551.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33N3O3S/c1-39-26-15-10-14-25(19-26)36-31(38)29-30(27-16-7-6-13-24(27)20-33(29)17-8-3-9-18-33)35-32(36)40-22-28(37)34-21-23-11-4-2-5-12-23/h2,4-7,10-16,19H,3,8-9,17-18,20-22H2,1H3,(H,34,37)InChIKey
GKIJORPOYGGPCI-UHFFFAOYSA-NSynonyms
COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=O)NCC6=CC=CC=C6
InChI=1SC33H33N3O3Sc1392615101425(1926)3631(38)2930(2716761324(27)2033(29)178391833)3532(36)402228(37)342123114251223h247101619H38917182022H21H3(H3437)
MFCD03298851
Nbenzyl2((3(3methoxyphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetamide
Nbenzyl2((3(3methoxyphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)acetamide
NBENZYL2(3(3METHOXYPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETAMIDE
ZINC000001905608
ZINC01905608
ZINC1905608
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