Vitas-M small molecule compound
N-(2-chlorophenyl)-2-{[4-(3-methoxyphenyl)-5-oxo-5,7-dihydro-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-1-yl]sulfanyl}acetamide
Catalog ID
STL149891
SMILES COc1cccc(c1)n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCC(=O)Nc1ccccc1Cl
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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 C33H30ClN5O3S MW 612.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30ClN5O3S/c1-42-23-12-9-11-22(18-23)38-30(41)28-29(24-13-4-3-10-21(24)19-33(28)16-7-2-8-17-33)39-31(38)36-37-32(39)43-20-27(40)35-26-15-6-5-14-25(26)34/h3-6,9-15,18H,2,7-8,16-17,19-20H2,1H3,(H,35,40)InChIKey
VJQIMCXRJIDERD-UHFFFAOYSA-NSynonyms
COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NN=C6SCC(=O)NC7=CC=CC=C7Cl
InChI=1SC33H30ClN5O3Sc142231291122(1823)3830(41)2829(2413431021(24)1933(28)167281733)3931(38)363732(39)432027(40)352615651425(26)34h3691518H27816171920H21H3(H3540)
MFCD04078400
N(2chlorophenyl)2((4(3methoxyphenyl)5oxo57dihydro4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)1yl)sulfanyl)acetamide
N(2chlorophenyl)2((4(3methoxyphenyl)5oxo57dihydro4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)1yl)thio)acetamide
ZINC000102930025
ZINC102930025
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