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(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile)
Catalog ID
STK993834
SMILES N#Cc1c2CCCCc2sc1N1C(=O)C2C(C1=O)C1C=CC2C2C1C1C2C(=O)N(C1=O)c1sc2c(c1C#N)CCCC2
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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 C32H26N4O4S2 MW 594.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H26N4O4S2/c33-11-17-13-5-1-3-7-19(13)41-31(17)35-27(37)23-15-9-10-16(24(23)28(35)38)22-21(15)25-26(22)30(40)36(29(25)39)32-18(12-34)14-6-2-4-8-20(14)42-32/h9-10,15-16,21-26H,1-8H2InChIKey
CJIAIVVTPCBNRM-UHFFFAOYSA-NSynonyms
1212297-11-41212297114
22(1357tetraoxododecahydro48ethenopyrrolo(3434)cyclobuta(12f)isoindole26diyl)bis(4567tetrahydro1benzothiophene3carbonitrile)
C1CCC2=C(C1)C(=C(S2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C7C6C(=O)N(C7=O)C8=C(C9=C(S8)CCCC9)C#N)C#N
InChI=1SC32H26N4O4S2c33111713513719(13)4131(17)3527(37)231591016(24(23)28(35)38)2221(15)2526(22)30(40)36(29(25)39)3218(1234)14624820(14)4232h91015162126H18H2
MFCD10701442
ZINC000245254833
ZINC000245254836
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