Vitas-M small molecule compound

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

Catalog ID
STK539620
SMILES O=C(Nc1ccc(cc1)C)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 C31H31N3O3S MW 525.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O3S/c1-21-11-13-23(14-12-21)32-26(35)20-38-30-33-28-25-10-4-3-8-22(25)18-31(15-5-2-6-16-31)27(28)29(36)34(30)19-24-9-7-17-37-24/h3-4,7-14,17H,2,5-6,15-16,18-20H2,1H3,(H,32,35)
InChIKey
GJXXVSKUAALZPX-UHFFFAOYSA-N
Synonyms
371209-60-8
2((3(furan2ylmethyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)N(4methylphenyl)acetamide
2((3(furan2ylmethyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)N(ptolyl)acetamide
2(3(FURAN2YLMETHYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLN(4METHYLPHENYL)ACETAMIDE
371209608
CC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CO4)C5(CCCCC5)CC6=CC=CC=C63
InChI=1SC31H31N3O3Sc121111323(141221)3226(35)2038303328251043822(25)1831(155261631)27(28)29(36)34(30)192497173724h3471417H25615161820H21H3(H3235)
MFCD03009798
ZINC000001790166
ZINC01790166
ZINC1790166

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Available files

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