Vitas-M small molecule compound

3-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-N-[(2E)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]propanamide

Catalog ID
STL162142
SMILES COCc1n[nH]/c(=N\C(=O)CCSc2ncnc3c2c2CCCc2s3)/s1

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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 C16H17N5O2S3 MW 407.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N5O2S3/c1-23-7-12-20-21-16(26-12)19-11(22)5-6-24-14-13-9-3-2-4-10(9)25-15(13)18-8-17-14/h8H,2-7H2,1H3,(H,19,21,22)
InChIKey
KEXCGDHBFBWCOW-UHFFFAOYSA-N
Synonyms
1246051-97-7
1246051977
3(67dihydro5Hcyclopenta(45)thieno(23d)pyrimidin4ylsulfanyl)N((2E)5(methoxymethyl)134thiadiazol2(3H)ylidene)propanamide
3(78dihydro6Hcyclopenta(23)thieno(24d)pyrimidin1ylsulfanyl)N(5(methoxymethyl)134thiadiazol2yl)propanamide
COCC1=NN=C(S1)NC(=O)CCSC2=NC=NC3=C2C4=C(S3)CCC4
COCc1n(nH)c(=NC(=O)CCSc2ncnc3c2c2CCCc2s3)s1
InChI=1SC16H17N5O2S3c123712202116(2612)1911(22)56241413932410(9)2515(13)1881714h8H27H21H3(H192122)
MFCD20759592
ZINC000049546083
ZINC49546083

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Available files

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