Vitas-M small molecule compound
N-(4-chlorophenyl)-2-{[3-(2-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Catalog ID
STL441045
SMILES COc1ccccc1n1c(SCC(=O)Nc2ccc(cc2)Cl)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 C32H30ClN3O3S MW 572.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30ClN3O3S/c1-39-26-12-6-5-11-25(26)36-30(38)28-29(24-10-4-3-9-21(24)19-32(28)17-7-2-8-18-32)35-31(36)40-20-27(37)34-23-15-13-22(33)14-16-23/h3-6,9-16H,2,7-8,17-20H2,1H3,(H,34,37)InChIKey
HEDKZTFLQRJTRE-UHFFFAOYSA-NSynonyms
COC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=O)NC6=CC=C(C=C6)Cl
InChI=1SC32H30ClN3O3Sc1392612651125(26)3630(38)2829(241043921(24)1932(28)177281832)3531(36)402027(37)3423151322(33)141623h36916H2781720H21H3(H3437)
MFCD06243770
N(4chlorophenyl)2((3(2methoxyphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetamide
N(4CHLOROPHENYL)2(3(2METHOXYPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETAMIDE
ZINC000003771711
ZINC3771711
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