Vitas-M small molecule compound

1,3,3-trimethyl-2-[(1E,3E,5Z)-5-(1,3,3-trimethyl-1,3-dihydro-2H-[1]benzofuro[3,2-f]indol-2-ylidene)penta-1,3-dien-1-yl]-3H-[1]benzofuro[3,2-f]indol-1-ium

Catalog ID
STK367950
SMILES CN1c2cc3oc4c(c3cc2C(/C/1=C/C=C/C=C/C1=[N+](C)c2c(C1(C)C)cc1c(c2)oc2c1cccc2)(C)C)cccc4

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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 C39H35N2O2 MW 563.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H35N2O2/c1-38(2)28-20-26-24-14-10-12-16-32(24)42-34(26)22-30(28)40(5)36(38)18-8-7-9-19-37-39(3,4)29-21-27-25-15-11-13-17-33(25)43-35(27)23-31(29)41(37)6/h7-23H,1-6H3/q+1
InChIKey
AWXHEHGDNLXMET-UHFFFAOYSA-N
Synonyms

133trimethyl2((1E3E5Z)5(133trimethyl13dihydro2H(1)benzofuro(32f)indol2ylidene)penta13dien1yl)3H(1)benzofuro(32f)indol1ium
133TRIMETHYL2(5(133TRIMETHYL(1)BENZOFURO(32F)INDOL1IUM2YL)PENTA24DIENYLIDENE)(1)BENZOFURO(32F)INDOLE
133TRIMETHYL2(5(133TRIMETHYL13DIHYDRO2H(1)BENZOFURO(32F)INDOL2YLIDENE)PENTA13DIEN1YL)3H(1)BENZOFURO(32F)INDOL1IUM
CC1(C2=C(C=C3C(=C2)C4=CC=CC=C4O3)(N+)(=C1C=CC=CC=C5C(C6=C(N5C)C=C7C(=C6)C8=CC=CC=C8O7)(C)C)C)C
CN1c2cc3oc4c(c3cc2C(C1=CC=CC=CC1=(N+)(C)c2c(C1(C)C)cc1c(c2)oc2c1cccc2)(C)C)cccc4
InChI=1SC39H35N2O2c138(2)282026241410121632(24)4234(26)2230(28)40(5)36(38)18879193739(34)292127251511131733(25)4335(27)2331(29)41(37)6h723H16H3q+1
ZINC000004015209
ZINC4015209

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Available files

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