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-(3-methylphenyl)acetamide
Catalog ID
STK553324
SMILES O=C(Nc1cccc(c1)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/c1-20-8-6-10-22(16-20)31-25(34)19-37-29-32-27-24-12-3-2-9-21(24)17-30(13-4-5-14-30)26(27)28(35)33(29)18-23-11-7-15-36-23/h2-3,6-12,15-16H,4-5,13-14,17-19H2,1H3,(H,31,34)InChIKey
HRNXEGSVGSJYMB-UHFFFAOYSA-NSynonyms
836625-59-32((3(furan2ylmethyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)sulfanyl)N(3methylphenyl)acetamide
2((3(furan2ylmethyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclopentan)2yl)thio)N(mtolyl)acetamide
2(3(FURAN2YLMETHYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)2YL)SULFANYLN(3METHYLPHENYL)ACETAMIDE
836625593
CC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CO4)C5(CCCC5)CC6=CC=CC=C63
InChI=1SC30H29N3O3Sc120861022(1620)3125(34)1937293227241232921(24)1730(13451430)26(27)28(35)33(29)1823117153623h236121516H4513141719H21H3(H3134)
MFCD03688057
ZINC000002250271
ZINC02250271
ZINC2250271
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