Vitas-M small molecule compound

(2Z)-6-(2-chlorobenzyl)-2-(1-heptyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione

Catalog ID
STK556308
SMILES CCCCCCCN1c2ccccc2/C(=c\2/sc3n(c2=O)nc(c(=O)n3)Cc2ccccc2Cl)/C1=O

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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 C27H25ClN4O3S MW 521.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN4O3S/c1-2-3-4-5-10-15-31-21-14-9-7-12-18(21)22(25(31)34)23-26(35)32-27(36-23)29-24(33)20(30-32)16-17-11-6-8-13-19(17)28/h6-9,11-14H,2-5,10,15-16H2,1H3/b23-22-
InChIKey
UWQZXDDZTFOZGE-FCQUAONHSA-N
Synonyms
638134-79-9
(2Z)6((2CHLOROPHENYL)METHYL)2(1HEPTYL2OXOINDOL3YLIDENE)(13)THIAZOLO(32B)(124)TRIAZINE37DIONE
(2Z)6(2chlorobenzyl)2(1heptyl2oxo12dihydro3Hindol3ylidene)7H(13)thiazolo(32b)(124)triazine37(2H)dione
(Z)6(2chlorobenzyl)2(1heptyl2oxoindolin3ylidene)2Hthiazolo(32b)(124)triazine37dione
6((2CHLOROPHENYL)METHYL)2(1HEPTYL2OXOBENZO(D)AZOLIN3YLIDENE)13THIAZOLIDINO(32B)124TRIAZINE37DIONE
638134799
CCCCCCCN1C2=CC=CC=C2C(=C3C(=O)N4C(=NC(=O)C(=N4)CC5=CC=CC=C5Cl)S3)C1=O
CCCCCCCN1c2ccccc2C(=c2sc3n(c2=O)nc(c(=O)n3)Cc2ccccc2Cl)C1=O
InChI=1SC27H25ClN4O3Sc123451015312114971218(21)22(25(31)34)2326(35)3227(3623)2924(33)20(3032)161711681319(17)28h691114H25101516H21H3b2322
MFCD04017075
ZINC000100871220
ZINC100871220

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Available files

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