Vitas-M small molecule compound
methyl 3-acetyl-8-methyl-1-(4-methylphenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
Catalog ID
STL005227
SMILES COC(=O)C1=C(C)N(C2(S1)SC(=NN2c1ccc(cc1)C)C(=O)C)c1ccccc1
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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 C22H21N3O3S2 MW 439.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O3S2/c1-14-10-12-18(13-11-14)25-22(30-20(23-25)16(3)26)24(17-8-6-5-7-9-17)15(2)19(29-22)21(27)28-4/h5-13H,1-4H3InChIKey
QUMRGUMSXLLHFN-UHFFFAOYSA-NSynonyms
670263-15-7670263157
CC1=CC=C(C=C1)N2C3(N(C(=C(S3)C(=O)OC)C)C4=CC=CC=C4)SC(=N2)C(=O)C
InChI=1SC22H21N3O3S2c114101218(131114)2522(3020(2325)16(3)26)24(178657917)15(2)19(2922)21(27)284h513H14H3
methyl2acetyl8methyl4(4methylphenyl)9phenyl16dithia349triazaspiro(44)nona27diene7carboxylate
methyl3acetyl8methyl1(4methylphenyl)9phenyl46dithia129triazaspiro(44)nona27diene7carboxylate
methyl3acetyl8methyl9phenyl1(ptolyl)46dithia129triazaspiro(44)nona27diene7carboxylate
METHYL8ACETYL2METHYL6(4METHYLPHENYL)1PHENYL49DITHIA167TRIAZASPIRO(44)NONA27DIENE3CARBOXYLATE
MFCD04176618
ZINC000002404591
ZINC000002404592
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