Vitas-M small molecule compound
2-{[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N,N-diphenylpropanamide
Catalog ID
STL441036
SMILES COc1ccc(cc1)n1c(SC(C(=O)N(c2ccccc2)c2ccccc2)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
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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 C39H37N3O3S MW 627.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H37N3O3S/c1-27(36(43)41(29-15-6-3-7-16-29)30-17-8-4-9-18-30)46-38-40-35-33-19-11-10-14-28(33)26-39(24-12-5-13-25-39)34(35)37(44)42(38)31-20-22-32(45-2)23-21-31/h3-4,6-11,14-23,27H,5,12-13,24-26H2,1-2H3InChIKey
XTRHHXWRGSUVAW-UHFFFAOYSA-NSynonyms
2((3(4methoxyphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)NNdiphenylpropanamide
2(3(4METHOXYPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLNNDIPHENYLPROPANAMIDE
CC(C(=O)N(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NC4=C(C(=O)N3C5=CC=C(C=C5)OC)C6(CCCCC6)CC7=CC=CC=C74
InChI=1SC39H37N3O3Sc127(36(43)41(29156371629)30178491830)46384035331911101428(33)2639(24125132539)34(35)37(44)42(38)31202232(452)232131h34611142327H512132426H212H3
MFCD06243761
ZINC000008769592
ZINC000008769595
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