Vitas-M small molecule compound
2-[(4-hydroxy-9-methyl-6H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-(naphthalen-1-yl)acetamide
Catalog ID
STL047144
SMILES O=C(Nc1cccc2c1cccc2)CSc1nc(O)c2c(n1)c1cc(C)ccc1CC12CCCCC1
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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 C30H29N3O2S MW 495.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N3O2S/c1-19-12-13-21-17-30(14-5-2-6-15-30)26-27(23(21)16-19)32-29(33-28(26)35)36-18-25(34)31-24-11-7-9-20-8-3-4-10-22(20)24/h3-4,7-13,16H,2,5-6,14-15,17-18H2,1H3,(H,31,34)(H,32,33,35)InChIKey
AAOINBCTHITNOK-UHFFFAOYSA-NSynonyms
488860-03-32((4hydroxy9methyl6Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)N(naphthalen1yl)acetamide
2((9METHYL4OXO46DIHYDRO1HSPIRO(BENZO(H)QUINAZOLINE51CYCLOHEXAN)2YL)SULFANYL)N(NAPHTHALEN1YL)ACETAMIDE
2(9METHYL4OXOSPIRO(16DIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLNNAPHTHALEN1YLACETAMIDE
488860033
CC1=CC2=C(CC3(CCCCC3)C4=C2NC(=NC4=O)SCC(=O)NC5=CC=CC6=CC=CC=C65)C=C1
InChI=1SC30H29N3O2Sc1191213211730(145261530)2627(23(21)1619)3229(3328(26)35)361825(34)31241179208341022(20)24h3471316H25614151718H21H3(H3134)(H323335)
MFCD03817947
ZINC000009302155
ZINC9302155
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