Vitas-M small molecule compound

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

Catalog ID
STK547840
SMILES O=C(NC(c1ccccc1)c1ccccc1)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 C39H37N3O2S MW 611.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H37N3O2S/c1-27-14-13-20-31(24-27)42-37(44)34-36(32-21-10-9-19-30(32)25-39(34)22-11-4-12-23-39)41-38(42)45-26-33(43)40-35(28-15-5-2-6-16-28)29-17-7-3-8-18-29/h2-3,5-10,13-21,24,35H,4,11-12,22-23,25-26H2,1H3,(H,40,43)
InChIKey
LYKPUORTLHKJSM-UHFFFAOYSA-N
Synonyms

CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=O)NC(C6=CC=CC=C6)C7=CC=CC=C7
InChI=1SC39H37N3O2Sc12714132031(2427)4237(44)3436(32211091930(32)2539(34)22114122339)4138(42)452633(43)4035(28155261628)29177381829h2351013212435H4111222232526H21H3(H4043)
MFCD03300230
N(diphenylmethyl)2((3(3methylphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetamide
Nbenzhydryl2((4oxo3(mtolyl)46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)acetamide
NBENZHYDRYL2(3(3METHYLPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETAMIDE
ZINC000102448999
ZINC102448999

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.