Vitas-M small molecule compound

N-(2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-{[4-methyl-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STK123972
SMILES O=C(CSc1sc2c(n1)ccc(c2)NC(=O)CSc1nnc(n1C)Cc1cccc2c1cccc2)NCc1ccccc1

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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 C32H28N6O2S3 MW 624.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28N6O2S3/c1-38-28(16-23-12-7-11-22-10-5-6-13-25(22)23)36-37-31(38)41-20-30(40)34-24-14-15-26-27(17-24)43-32(35-26)42-19-29(39)33-18-21-8-3-2-4-9-21/h2-15,17H,16,18-20H2,1H3,(H,33,39)(H,34,40)
InChIKey
GIIHREKVKRNGOJ-UHFFFAOYSA-N
Synonyms

CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NCC4=CC=CC=C4)CC5=CC=CC6=CC=CC=C65
InChI=1SC32H28N6O2S3c13828(1623127112210561325(22)23)363731(38)412030(40)342414152627(1724)4332(3526)421929(39)3318218324921h21517H161820H21H3(H3339)(H3440)
MFCD03082276
N(2((2(BENZYLAMINO)2OXOETHYL)SULFANYL)13BENZOTHIAZOL6YL)2((4METHYL5(1NAPHTHYLMETHYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2((2(BENZYLAMINO)2OXOETHYL)SULFANYL)13BENZOTHIAZOL6YL)2((4METHYL5(NAPHTHALEN1YLMETHYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2(2(BENZYLAMINO)2OXOETHYL)SULFANYL13BENZOTHIAZOL6YL)2((4METHYL5(NAPHTHALEN1YLMETHYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
Nbenzyl2((6(2((4methyl5(naphthalen1ylmethyl)4H124triazol3yl)thio)acetamido)benzo(d)thiazol2yl)thio)acetamide
ZINC000008437929
ZINC08437929
ZINC8437929

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Available files

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