Vitas-M small molecule compound

N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2-[(2-methylbenzyl)sulfanyl]pyrimidine-4-carboxamide

Catalog ID
STK913084
SMILES O=C(c1nc(ncc1Cl)SCc1ccccc1C)NCc1ccc2c(c1)OCO2

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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 C21H18ClN3O3S MW 427.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O3S/c1-13-4-2-3-5-15(13)11-29-21-24-10-16(22)19(25-21)20(26)23-9-14-6-7-17-18(8-14)28-12-27-17/h2-8,10H,9,11-12H2,1H3,(H,23,26)
InChIKey
HJLVSIMNGMMUQY-UHFFFAOYSA-N
Synonyms

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)Cl
InChI=1SC21H18ClN3O3Sc113423515(13)112921241016(22)19(2521)20(26)23914671718(814)28122717h2810H91112H21H3(H2326)
MFCD07428051
N(13benzodioxol5ylmethyl)5chloro2((2methylbenzyl)sulfanyl)pyrimidine4carboxamide
N(13benzodioxol5ylmethyl)5chloro2((2methylphenyl)methylsulfanyl)pyrimidine4carboxamide
ZINC000008917481
ZINC08917481
ZINC8917481

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Available files

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