Vitas-M small molecule compound

2-{[3-(3-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide

Catalog ID
STK932173
SMILES O=C(Nc1cccc2c1cccc2)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)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 C36H33N3O2S MW 571.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H33N3O2S/c1-24-11-9-15-27(21-24)39-34(41)32-33(29-17-6-4-13-26(29)22-36(32)19-7-2-8-20-36)38-35(39)42-23-31(40)37-30-18-10-14-25-12-3-5-16-28(25)30/h3-6,9-18,21H,2,7-8,19-20,22-23H2,1H3,(H,37,40)
InChIKey
ITHKCMNLFDTSTE-UHFFFAOYSA-N
Synonyms

2((3(3methylphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)N(naphthalen1yl)acetamide
2(3(3METHYLPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLNNAPHTHALEN1YLACETAMIDE
CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=O)NC6=CC=CC7=CC=CC=C76
InChI=1SC36H33N3O2Sc1241191527(2124)3934(41)3233(2917641326(29)2236(32)197282036)3835(39)422331(40)37301810142512351628(25)30h3691821H27819202223H21H3(H3740)
MFCD03300441
N(naphthalen1yl)2((4oxo3(mtolyl)46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)acetamide
ZINC000001831309
ZINC01831309
ZINC1831309

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Available files

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