Vitas-M small molecule compound

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

Catalog ID
STK549219
SMILES O=C(Nc1ccc(cc1)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

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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 C30H29N3O3S MW 511.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N3O3S/c1-20-10-12-22(13-11-20)31-25(34)19-37-29-32-27-24-9-3-2-7-21(24)17-30(14-4-5-15-30)26(27)28(35)33(29)18-23-8-6-16-36-23/h2-3,6-13,16H,4-5,14-15,17-19H2,1H3,(H,31,34)
InChIKey
YIOUXXLHCBLVJI-UHFFFAOYSA-N
Synonyms
836634-08-3
2((3(furan2ylmethyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)sulfanyl)N(4methylphenyl)acetamide
2((3(furan2ylmethyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)thio)N(ptolyl)acetamide
2(3(FURAN2YLMETHYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)2YL)SULFANYLN(4METHYLPHENYL)ACETAMIDE
836634083
CC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CO4)C5(CCCC5)CC6=CC=CC=C63
InChI=1SC30H29N3O3Sc120101222(131120)3125(34)193729322724932721(24)1730(14451530)26(27)28(35)33(29)182386163623h2361316H4514151719H21H3(H3134)
MFCD03689404
ZINC000009462006
ZINC09462006
ZINC9462006

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Available files

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