Vitas-M small molecule compound

N-[1-(5-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-3-methylbenzamide

Catalog ID
STK130305
SMILES CCn1c(SCC(=O)Nc2nc3c(s2)cccc3)nnc1C(C(C)C)NC(=O)c1cccc(c1)C

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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 C25H28N6O2S2 MW 508.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N6O2S2/c1-5-31-22(21(15(2)3)28-23(33)17-10-8-9-16(4)13-17)29-30-25(31)34-14-20(32)27-24-26-18-11-6-7-12-19(18)35-24/h6-13,15,21H,5,14H2,1-4H3,(H,28,33)(H,26,27,32)
InChIKey
AXWANDGKKURCJF-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)NC2=NC3=CC=CC=C3S2)C(C(C)C)NC(=O)C4=CC(=CC=C4)C
InChI=1SC25H28N6O2S2c153122(21(15(2)3)2823(33)17108916(4)1317)293025(31)341420(32)2724261811671219(18)3524h6131521H514H214H3(H2833)(H262732)
MFCD08671390
N(1(5((2(13BENZOTHIAZOL2YLAMINO)2OXOETHYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)2METHYLPROPYL)3METHYLBENZAMIDE
N(1(5(2(13BENZOTHIAZOL2YLAMINO)2OXOETHYL)SULFANYL4ETHYL124TRIAZOL3YL)2METHYLPROPYL)3METHYLBENZAMIDE
ZINC000009849919
ZINC000009849921

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Available files

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