Vitas-M small molecule compound

4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenyl 10H-phenothiazine-10-carboxylate

Catalog ID
STK074021
SMILES O=C(N1c2ccccc2Sc2c1cccc2)Oc1ccc(cc1)/C=C/1\C(=O)c2c(C1=O)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 C29H17NO4S MW 475.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H17NO4S/c31-27-20-7-1-2-8-21(20)28(32)22(27)17-18-13-15-19(16-14-18)34-29(33)30-23-9-3-5-11-25(23)35-26-12-6-4-10-24(26)30/h1-17H
InChIKey
BHSUQDKENANHDC-UHFFFAOYSA-N
Synonyms
371144-62-6
(4((13DIOXOINDEN2YLIDENE)METHYL)PHENYL)PHENOTHIAZINE10CARBOXYLATE
371144626
4((13DIOXO13DIHYDRO2HINDEN2YLIDENE)METHYL)PHENYL10HPHENOTHIAZINE10CARBOXYLATE
4((13dioxo1Hinden2(3H)ylidene)methyl)phenyl10Hphenothiazine10carboxylate
C1=CC=C2C(=C1)C(=O)C(=CC3=CC=C(C=C3)OC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64)C2=O
InChI=1SC29H17NO4Sc312720712821(20)28(32)22(27)1718131519(161418)3429(33)30239351125(23)352612641024(26)30h117H
MFCD03009341
O=C(N1c2ccccc2Sc2c1cccc2)Oc1ccc(cc1)C=C1C(=O)c2c(C1=O)cccc2
STK074021
ZINC000002224805
ZINC02224805
ZINC2224805

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.