Vitas-M small molecule compound
2,2'-(1,3,5,7-tetraoxododecahydro-4,8-ethenopyrrolo[3',4':3,4]cyclobuta[1,2-f]isoindole-2,6-diyl)bis(5-methyl-2,3,4,5,6,7-hexahydro-1-benzothiophene-3-carbonitrile)
Catalog ID
STK380011
SMILES N#CC1C2=C(SC1N1C(=O)C3C(C1=O)C1C=CC3C3C1C1C3C(=O)N(C1=O)C1SC3=C(C1C#N)CC(CC3)C)CCC(C2)C
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C34H34N4O4S2 MW 626.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34N4O4S2/c1-13-3-7-21-17(9-13)19(11-35)33(43-21)37-29(39)25-15-5-6-16(26(25)30(37)40)24-23(15)27-28(24)32(42)38(31(27)41)34-20(12-36)18-10-14(2)4-8-22(18)44-34/h5-6,13-16,19-20,23-28,33-34H,3-4,7-10H2,1-2H3InChIKey
DDCSIHFTXGZHAT-UHFFFAOYSA-NSynonyms
22(1357tetraoxododecahydro48ethenopyrrolo(3434)cyclobuta(12f)isoindole26diyl)bis(5methyl234567hexahydro1benzothiophene3carbonitrile)
CC1CCC2=C(C1)C(C(S2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C7C6C(=O)N(C7=O)C8C(C9=C(S8)CCC(C9)C)C#N)C#N
E3CARBONITRILE
InChI=1SC34H34N4O4S2c113372117(913)19(1135)33(4321)3729(39)25155616(26(25)30(37)40)2423(15)2728(24)32(42)38(31(27)41)3420(1236)181014(2)4822(18)4434h561316192023283334H34710H212H3
MFCD01992507
ZINC000239038410
ZINC000239038413
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