Vitas-M small molecule compound
N,N-diethyl-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
STK554764
SMILES COc1cccc(c1)n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCC(=O)N(CC)CC
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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 C31H35N5O3S MW 557.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N5O3S/c1-4-34(5-2)25(37)20-40-30-33-32-29-35(22-13-11-14-23(18-22)39-3)28(38)26-27(36(29)30)24-15-8-7-12-21(24)19-31(26)16-9-6-10-17-31/h7-8,11-15,18H,4-6,9-10,16-17,19-20H2,1-3H3InChIKey
CVNAMPCUKVRXIJ-UHFFFAOYSA-NSynonyms
CCN(CC)C(=O)CSC1=NN=C2N1C3=C(C(=O)N2C4=CC(=CC=C4)OC)C5(CCCCC5)CC6=CC=CC=C63
InChI=1SC31H35N5O3Sc1434(52)25(37)20403033322935(2213111423(1822)393)28(38)2627(36(29)30)2415871221(24)1931(26)1696101731h78111518H4691016171920H213H3
MFCD04006351
NNdiethyl2((4(3methoxyphenyl)5oxo57dihydro4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)1yl)sulfanyl)acetamide
NNdiethyl2((4(3methoxyphenyl)5oxo57dihydro4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)1yl)thio)acetamide
ZINC000001900746
ZINC1900746
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