Vitas-M small molecule compound

1-(2,3-dihydro-1H-indol-1-yl)-2-{[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone

Catalog ID
STK154272
SMILES C=CCn1c(SCC(=O)N2CCc3c2cccc3)nnc1c1ccc(cc1)[N+](=O)[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 C21H19N5O3S MW 421.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O3S/c1-2-12-25-20(16-7-9-17(10-8-16)26(28)29)22-23-21(25)30-14-19(27)24-13-11-15-5-3-4-6-18(15)24/h2-10H,1,11-14H2
InChIKey
XLSZQJZQHPJHNN-UHFFFAOYSA-N
Synonyms

1(23DIHYDRO1HINDOL1YL)2((5(4NITROPHENYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ETHANONE
1(23DIHYDROINDOL1YL)2((5(4NITROPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ETHANONE
C=CCN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C32)C4=CC=C(C=C4)(N+)(=O)(O)
C=CCn1c(SCC(=O)N2CCc3c2cccc3)nnc1c1ccc(cc1)(N+)(=O)(O)
InChI=1SC21H19N5O3Sc12122520(167917(10816)26(28)29)222321(25)301419(27)24131115534618(15)24h210H11114H2
MFCD03995752
ZINC000001143518
ZINC01143518
ZINC1143518

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Available files

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