Vitas-M small molecule compound
N-(5-chloro-2-methylphenyl)-2-{[3-(furan-2-ylmethyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Catalog ID
STL441031
SMILES O=C(Nc1cc(Cl)ccc1C)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)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 C31H30ClN3O3S MW 560.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30ClN3O3S/c1-20-11-12-22(32)16-25(20)33-26(36)19-39-30-34-28-24-10-4-3-8-21(24)17-31(13-5-2-6-14-31)27(28)29(37)35(30)18-23-9-7-15-38-23/h3-4,7-12,15-16H,2,5-6,13-14,17-19H2,1H3,(H,33,36)InChIKey
QNLIZRROEINWEQ-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CO4)C5(CCCCC5)CC6=CC=CC=C63
InChI=1SC31H30ClN3O3Sc120111222(32)1625(20)3326(36)1939303428241043821(24)1731(135261431)27(28)29(37)35(30)182397153823h347121516H25613141719H21H3(H3336)
MFCD06239350
N(5chloro2methylphenyl)2((3(furan2ylmethyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetamide
N(5CHLORO2METHYLPHENYL)2(3(FURAN2YLMETHYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETAMIDE
ZINC000003771287
ZINC3771287
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